trans-(1R,3R)-3-(trifluoromethyl)cycloheptan-1-amine

C8H14F3N — CID 97297725

IUPACtrans-(1R,3R)-3-(trifluoromethyl)cycloheptan-1-amine
SMILESN[C@@H]1CCCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C8H14F3N/c9-8(10,11)6-3-1-2-4-7(12)5-6/h6-7H,1-5,12H2/t6-,7-/m1/s1
InChIKeySUPFCUKHIQGRJV-RNFRBKRXSA-N
MW181.20 g/mol
LogP2.46
Rot. Bonds

About trans-(1R,3R)-3-(trifluoromethyl)cycloheptan-1-amine

trans-(1R,3R)-3-(trifluoromethyl)cycloheptan-1-amine (PubChem CID 97297725) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is trans-(1R,3R)-3-(trifluoromethyl)cycloheptan-1-amine.

Molecular Properties

Compound Nametrans-(1R,3R)-3-(trifluoromethyl)cycloheptan-1-amine
PubChem CID97297725
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Nametrans-(1R,3R)-3-(trifluoromethyl)cycloheptan-1-amine
SMILESN[C@@H]1CCCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C8H14F3N/c9-8(10,11)6-3-1-2-4-7(12)5-6/h6-7H,1-5,12H2/t6-,7-/m1/s1
InChIKeySUPFCUKHIQGRJV-RNFRBKRXSA-N
XLogP2.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(trifluoromethyl)cycloheptan-1-amine
CID 86775157
cis-(3R,5S)-3,5-bis(trifluoromethyl)cyclohexan-1-amine
CID 27808394
methyl 2-(3-aminocyclohexyl)-2,2-difluoroacetate
CID 84722354
cyclohexyl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105079907
[(1R,3S)-3-(trifluoromethyl)cyclohexyl]hydrazine
CID 124506889
trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 39870295
3-[3-(trifluoromethyl)piperidin-1-yl]cyclobutan-1-amine
CID 80561868
formaldehyde;methane;trifluoromethylcyclohexane
CID 142523059
cis-(1R,3S)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 90020228
cis-(1S,3R)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 130860648
1-propyl-3-(trifluoromethyl)cyclohexane
CID 142650129
4-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-amine
CID 54091079

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-(trifluoromethyl)cycloheptan-1-amine?
The IUPAC name of trans-(1R,3R)-3-(trifluoromethyl)cycloheptan-1-amine (CID 97297725) is trans-(1R,3R)-3-(trifluoromethyl)cycloheptan-1-amine.
What is the SMILES notation for trans-(1R,3R)-3-(trifluoromethyl)cycloheptan-1-amine?
The canonical SMILES for trans-(1R,3R)-3-(trifluoromethyl)cycloheptan-1-amine is N[C@@H]1CCCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of trans-(1R,3R)-3-(trifluoromethyl)cycloheptan-1-amine?
The InChIKey is SUPFCUKHIQGRJV-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H14F3N/c9-8(10,11)6-3-1-2-4-7(12)5-6/h6-7H,1-5,12H2/t6-,7-/m1/s1.
What are the key properties of trans-(1R,3R)-3-(trifluoromethyl)cycloheptan-1-amine?
trans-(1R,3R)-3-(trifluoromethyl)cycloheptan-1-amine has a molecular weight of 181.20 g/mol, XLogP of 2.46, 0 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)cycloheptan-1-amine is sourced from PubChem (CID 97297725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).