(1-amino-3,3-difluorocyclohexyl)methanol

C7H13F2NO — CID 84717018

IUPAC(1-amino-3,3-difluorocyclohexyl)methanol
SMILESNC1(CO)CCCC(F)(F)C1
InChIInChI=1S/C7H13F2NO/c8-7(9)3-1-2-6(10,4-7)5-11/h11H,1-5,10H2
InChIKeyIFZAIMZACWJTJH-UHFFFAOYSA-N
MW165.18 g/mol
LogP0.89
Rot. Bonds1

About (1-amino-3,3-difluorocyclohexyl)methanol

(1-amino-3,3-difluorocyclohexyl)methanol (PubChem CID 84717018) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is (1-amino-3,3-difluorocyclohexyl)methanol.

Molecular Properties

Compound Name(1-amino-3,3-difluorocyclohexyl)methanol
PubChem CID84717018
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name(1-amino-3,3-difluorocyclohexyl)methanol
SMILESNC1(CO)CCCC(F)(F)C1
InChIInChI=1S/C7H13F2NO/c8-7(9)3-1-2-6(10,4-7)5-11/h11H,1-5,10H2
InChIKeyIFZAIMZACWJTJH-UHFFFAOYSA-N
XLogP0.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1-Aminocyclohexyl)methanol
CID 409153
(1-Aminocyclohexyl)methanol hydrochloride
CID 20211929
(1-Amino-4,4-difluorocyclohexyl)methanol
CID 84717017
4-Amino-4-(trifluoromethyl)cyclohexan-1-ol
CID 54594720
rac-(1R,2S)-2-amino-6,6-difluoro-2-methylcyclohexan-1-ol
CID 58385995
(R)-2-Amino-2-(trifluoromethyl)-hexane-1-ol
CID 101559174
(2R)-2-amino-2-(trifluoromethyl)hexan-1-ol;hydrochloride
CID 122585209
2-Amino-2-(trifluoromethyl)hexan-1-ol;hydrochloride
CID 122585210
2-Amino-2-(trifluoromethyl)hexan-1-ol
CID 122585211
[1-Amino-4-(trifluoromethyl)cyclohexyl]methanol
CID 64754704
[1-Amino-3-(trifluoromethyl)cyclohexyl]methanol
CID 64758250
1-(1-Aminocyclohexyl)-2,2,2-trifluoroethanol
CID 82399081

Frequently Asked Questions

What is the IUPAC name of (1-amino-3,3-difluorocyclohexyl)methanol?
The IUPAC name of (1-amino-3,3-difluorocyclohexyl)methanol (CID 84717018) is (1-amino-3,3-difluorocyclohexyl)methanol.
What is the SMILES notation for (1-amino-3,3-difluorocyclohexyl)methanol?
The canonical SMILES for (1-amino-3,3-difluorocyclohexyl)methanol is NC1(CO)CCCC(F)(F)C1.
What is the InChIKey of (1-amino-3,3-difluorocyclohexyl)methanol?
The InChIKey is IFZAIMZACWJTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c8-7(9)3-1-2-6(10,4-7)5-11/h11H,1-5,10H2.
What are the key properties of (1-amino-3,3-difluorocyclohexyl)methanol?
(1-amino-3,3-difluorocyclohexyl)methanol has a molecular weight of 165.18 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3,3-difluorocyclohexyl)methanol is sourced from PubChem (CID 84717018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).