1-[(1S)-1-amino-2,2,2-trifluoroethyl]cyclohexan-1-ol

C8H14F3NO — CID 56609959

IUPAC1-[(1S)-1-amino-2,2,2-trifluoroethyl]cyclohexan-1-ol
SMILESN[C@H](C(F)(F)F)C1(O)CCCCC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)6(12)7(13)4-2-1-3-5-7/h6,13H,1-5,12H2/t6-/m0/s1
InChIKeyIXCBRJSZPBNNRJ-LURJTMIESA-N
MW197.20 g/mol
LogP1.57
Rot. Bonds1

About 1-[(1S)-1-amino-2,2,2-trifluoroethyl]cyclohexan-1-ol

1-[(1S)-1-amino-2,2,2-trifluoroethyl]cyclohexan-1-ol (PubChem CID 56609959) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 1-[(1S)-1-amino-2,2,2-trifluoroethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1S)-1-amino-2,2,2-trifluoroethyl]cyclohexan-1-ol
PubChem CID56609959
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name1-[(1S)-1-amino-2,2,2-trifluoroethyl]cyclohexan-1-ol
SMILESN[C@H](C(F)(F)F)C1(O)CCCCC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)6(12)7(13)4-2-1-3-5-7/h6,13H,1-5,12H2/t6-/m0/s1
InChIKeyIXCBRJSZPBNNRJ-LURJTMIESA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-1-(trifluoromethyl)cyclohexan-1-ol
CID 54594717
1-(Aminomethyl)-4,4-difluorocyclohexan-1-ol hydrochloride
CID 90000450
1-(1-Aminoethyl)cyclohexan-1-ol
CID 13585932
1-(1-Amino-2,2,2-trifluoroethyl)cyclohexan-1-ol
CID 21288546
4-Amino-1-(trifluoromethyl)cyclohexan-1-ol
CID 50989723
1-[(1R)-1-amino-2,2,2-trifluoroethyl]cyclohexan-1-ol
CID 53939956
1-Aminomethyl-4-trifluoromethyl-cyclohexanol
CID 64754909
4-Amino-1-(difluoromethyl)cyclohexan-1-ol
CID 80605816
1-(Aminomethyl)-4,4-difluorocyclohexan-1-ol
CID 90000451
1-(Aminomethyl)-3,3-difluorocyclohexanol
CID 118555961
(1R)-1-(aminomethyl)-3,3-difluorocyclohexan-1-ol
CID 118555979
1-Aminomethyl-3,3-difluorocyclohexanol hydrochloride
CID 118556030

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-amino-2,2,2-trifluoroethyl]cyclohexan-1-ol?
The IUPAC name of 1-[(1S)-1-amino-2,2,2-trifluoroethyl]cyclohexan-1-ol (CID 56609959) is 1-[(1S)-1-amino-2,2,2-trifluoroethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(1S)-1-amino-2,2,2-trifluoroethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(1S)-1-amino-2,2,2-trifluoroethyl]cyclohexan-1-ol is N[C@H](C(F)(F)F)C1(O)CCCCC1.
What is the InChIKey of 1-[(1S)-1-amino-2,2,2-trifluoroethyl]cyclohexan-1-ol?
The InChIKey is IXCBRJSZPBNNRJ-LURJTMIESA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)6(12)7(13)4-2-1-3-5-7/h6,13H,1-5,12H2/t6-/m0/s1.
What are the key properties of 1-[(1S)-1-amino-2,2,2-trifluoroethyl]cyclohexan-1-ol?
1-[(1S)-1-amino-2,2,2-trifluoroethyl]cyclohexan-1-ol has a molecular weight of 197.20 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-amino-2,2,2-trifluoroethyl]cyclohexan-1-ol is sourced from PubChem (CID 56609959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).