trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine

C14H21F6N — CID 39870295

IUPACtrans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
SMILESFC(F)(F)[C@@H]1CCC[C@@H](N[C@@H]2CCC[C@H](C(F)(F)F)C2)C1
InChIInChI=1S/C14H21F6N/c15-13(16,17)9-3-1-5-11(7-9)21-12-6-2-4-10(8-12)14(18,19)20/h9-12,21H,1-8H2/t9-,10+,11-,12-/m1/s1
InChIKeyCWLMKZQZGZWEAK-WRWGMCAJSA-N
MW317.32 g/mol
LogP4.82
Rot. Bonds2

About trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine

trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine (PubChem CID 39870295) has the molecular formula C14H21F6N and a molecular weight of 317.32 g/mol. Its IUPAC name is trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
PubChem CID39870295
Molecular FormulaC14H21F6N
Molecular Weight317.32 g/mol
Exact Mass317.16
IUPAC Nametrans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
SMILESFC(F)(F)[C@@H]1CCC[C@@H](N[C@@H]2CCC[C@H](C(F)(F)F)C2)C1
InChIInChI=1S/C14H21F6N/c15-13(16,17)9-3-1-5-11(7-9)21-12-6-2-4-10(8-12)14(18,19)20/h9-12,21H,1-8H2/t9-,10+,11-,12-/m1/s1
InChIKeyCWLMKZQZGZWEAK-WRWGMCAJSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine with MolForge

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Related Compounds

N-[3-(trifluoromethyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43434428
3,4-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 64746000
N-[3-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine
CID 79731027
[(1R,3S)-3-(trifluoromethyl)cyclohexyl]hydrazine
CID 124506889
N-(3-phenylcyclobutyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747481
cis-(1S,3R)-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 124829993
1-methylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine
CID 64757172
2-cyclopropyl-N-[3-(trifluoromethyl)cyclohexyl]oxolan-3-amine
CID 102613100
2-[4-[[3-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]acetamide
CID 64759422
N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanesulfonamide
CID 129369369
1-methyl-3-[[3-(trifluoromethyl)cyclohexyl]amino]pyrrolidin-2-one
CID 102613000
N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]cyclobutanecarboxamide
CID 94606396

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine?
The IUPAC name of trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine (CID 39870295) is trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine?
The canonical SMILES for trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine is FC(F)(F)[C@@H]1CCC[C@@H](N[C@@H]2CCC[C@H](C(F)(F)F)C2)C1.
What is the InChIKey of trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine?
The InChIKey is CWLMKZQZGZWEAK-WRWGMCAJSA-N. The full InChI is InChI=1S/C14H21F6N/c15-13(16,17)9-3-1-5-11(7-9)21-12-6-2-4-10(8-12)14(18,19)20/h9-12,21H,1-8H2/t9-,10+,11-,12-/m1/s1.
What are the key properties of trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine?
trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine has a molecular weight of 317.32 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine is sourced from PubChem (CID 39870295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).