cis-(3R,5S)-3,5-bis(trifluoromethyl)cyclohexan-1-amine

C8H11F6N — CID 27808394

IUPACcis-(3R,5S)-3,5-bis(trifluoromethyl)cyclohexan-1-amine
SMILESNC1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1
InChIInChI=1S/C8H11F6N/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h4-6H,1-3,15H2/t4-,5+,6?
InChIKeyHLLGJXAKKIPKMP-XEAPYIEGSA-N
MW235.17 g/mol
LogP2.85
Rot. Bonds

About cis-(3R,5S)-3,5-bis(trifluoromethyl)cyclohexan-1-amine

cis-(3R,5S)-3,5-bis(trifluoromethyl)cyclohexan-1-amine (PubChem CID 27808394) has the molecular formula C8H11F6N and a molecular weight of 235.17 g/mol. Its IUPAC name is cis-(3R,5S)-3,5-bis(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(3R,5S)-3,5-bis(trifluoromethyl)cyclohexan-1-amine
PubChem CID27808394
Molecular FormulaC8H11F6N
Molecular Weight235.17 g/mol
Exact Mass235.08
IUPAC Namecis-(3R,5S)-3,5-bis(trifluoromethyl)cyclohexan-1-amine
SMILESNC1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1
InChIInChI=1S/C8H11F6N/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h4-6H,1-3,15H2/t4-,5+,6?
InChIKeyHLLGJXAKKIPKMP-XEAPYIEGSA-N
XLogP2.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.17
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,3R)-3-(trifluoromethyl)cycloheptan-1-amine
CID 97297725
2,5-bis(trifluoromethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 89159384
2-[3,5-bis(trifluoromethyl)cyclohexyl]ethanol
CID 172565004
cis-(1S,3R)-5-(trifluoromethyl)cyclohexane-1,3-diol
CID 99986355
4-(trifluoromethyl)cycloheptan-1-amine
CID 86775157
3-[3-(trifluoromethyl)piperidin-1-yl]cyclobutan-1-amine
CID 80561868
trans-(1S,2S)-2-(trifluoromethyl)cyclopropan-1-amine
CID 28901541
(3S,5R)-3-(1,1-difluoroethyl)-1-methyl-5-(trifluoromethyl)piperidine
CID 159797513
1-methylsulfanyl-3-(trifluoromethyl)cyclobutane
CID 166834636
3-(trifluoromethyl)cyclobutane-1-carbaldehyde
CID 131335536
(3aR,4S,6S,7aS)-6-(trifluoromethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-amine
CID 129413351
2-amino-4-(trifluoromethyl)cyclohexan-1-ol
CID 117046480

Frequently Asked Questions

What is the IUPAC name of cis-(3R,5S)-3,5-bis(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of cis-(3R,5S)-3,5-bis(trifluoromethyl)cyclohexan-1-amine (CID 27808394) is cis-(3R,5S)-3,5-bis(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for cis-(3R,5S)-3,5-bis(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for cis-(3R,5S)-3,5-bis(trifluoromethyl)cyclohexan-1-amine is NC1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1.
What is the InChIKey of cis-(3R,5S)-3,5-bis(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is HLLGJXAKKIPKMP-XEAPYIEGSA-N. The full InChI is InChI=1S/C8H11F6N/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h4-6H,1-3,15H2/t4-,5+,6?.
What are the key properties of cis-(3R,5S)-3,5-bis(trifluoromethyl)cyclohexan-1-amine?
cis-(3R,5S)-3,5-bis(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 235.17 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3R,5S)-3,5-bis(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 27808394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).