cis-(1R,3R)-1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol

C8H14F3NO — CID 95278571

IUPACcis-(1R,3R)-1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESNC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)6-2-1-3-7(13,4-6)5-12/h6,13H,1-5,12H2/t6-,7-/m1/s1
InChIKeyLBZPPFQFWUNZAQ-RNFRBKRXSA-N
MW197.20 g/mol
LogP1.43
Rot. Bonds1

About cis-(1R,3R)-1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol

cis-(1R,3R)-1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 95278571) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is cis-(1R,3R)-1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,3R)-1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID95278571
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Namecis-(1R,3R)-1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESNC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)6-2-1-3-7(13,4-6)5-12/h6,13H,1-5,12H2/t6-,7-/m1/s1
InChIKeyLBZPPFQFWUNZAQ-RNFRBKRXSA-N
XLogP1.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol;hydrochloride
CID 75481559
1-(methylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64758872
1-prop-2-ynyl-3-(trifluoromethyl)cyclohexan-1-ol
CID 64758857
1-(4,4,4-trifluorobutyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 113326765
cis-(1S,3S)-1-(aminomethyl)-3-methylcyclohexan-1-ol
CID 25015095
[1-(azocan-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64757802
1-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 64759664
(2R,3R,7S)-7-(trifluoromethyl)spiro[2.5]octan-2-amine
CID 124526779
1-[(3-bromo-2,6-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 106265387
[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
CID 115559280
1-(aminomethyl)-N-butyl-N-cyclopropyl-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759242
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 79827472

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of cis-(1R,3R)-1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol (CID 95278571) is cis-(1R,3R)-1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,3R)-1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for cis-(1R,3R)-1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol is NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of cis-(1R,3R)-1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is LBZPPFQFWUNZAQ-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)6-2-1-3-7(13,4-6)5-12/h6,13H,1-5,12H2/t6-,7-/m1/s1.
What are the key properties of cis-(1R,3R)-1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol?
cis-(1R,3R)-1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 197.20 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 95278571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).