3-amino-4-fluoro-1-methylcyclohexan-1-ol

C7H14FNO — CID 90763186

IUPAC3-amino-4-fluoro-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(F)C(N)C1
InChIInChI=1S/C7H14FNO/c1-7(10)3-2-5(8)6(9)4-7/h5-6,10H,2-4,9H2,1H3
InChIKeyTZMUXKWVYVFGRW-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.59
Rot. Bonds

About 3-amino-4-fluoro-1-methylcyclohexan-1-ol

3-amino-4-fluoro-1-methylcyclohexan-1-ol (PubChem CID 90763186) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 3-amino-4-fluoro-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name3-amino-4-fluoro-1-methylcyclohexan-1-ol
PubChem CID90763186
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name3-amino-4-fluoro-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(F)C(N)C1
InChIInChI=1S/C7H14FNO/c1-7(10)3-2-5(8)6(9)4-7/h5-6,10H,2-4,9H2,1H3
InChIKeyTZMUXKWVYVFGRW-UHFFFAOYSA-N
XLogP0.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

rel-(1R,3S)-3-Amino-1-(trifluoromethyl)cyclohexanol
CID 52420939
3-Amino-1-ethynylcyclohexan-1-ol
CID 80562313
3-Amino-1-(trifluoromethyl)cyclohexan-1-ol
CID 50989727
(1R,3R)-3-Amino-1-(trifluoromethyl)cyclohexanol
CID 52420941
(1S,3S)-3-amino-1-(trifluoromethyl)cyclohexanol
CID 52420935
(1S,3R)-3-amino-1-(trifluoromethyl)cyclohexanol
CID 52420937
[3-Hydroxy-3-(trifluoromethyl)cyclohexyl]azanium
CID 75844359
3-Amino-1-(3,3,3-trifluoropropyl)cyclohexan-1-ol
CID 80561243
3-Amino-1-(difluoromethyl)cyclohexan-1-ol
CID 80605815
3-(Methylamino)-1-(trifluoromethyl)cyclohexan-1-ol
CID 83915838
3-Methoxy-3-(trifluoromethyl)cyclohexan-1-amine
CID 84733442
3-Amino-1-[bromo(difluoro)methyl]cyclohexan-1-ol
CID 107140270

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-1-methylcyclohexan-1-ol?
The IUPAC name of 3-amino-4-fluoro-1-methylcyclohexan-1-ol (CID 90763186) is 3-amino-4-fluoro-1-methylcyclohexan-1-ol.
What is the SMILES notation for 3-amino-4-fluoro-1-methylcyclohexan-1-ol?
The canonical SMILES for 3-amino-4-fluoro-1-methylcyclohexan-1-ol is CC1(O)CCC(F)C(N)C1.
What is the InChIKey of 3-amino-4-fluoro-1-methylcyclohexan-1-ol?
The InChIKey is TZMUXKWVYVFGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-7(10)3-2-5(8)6(9)4-7/h5-6,10H,2-4,9H2,1H3.
What are the key properties of 3-amino-4-fluoro-1-methylcyclohexan-1-ol?
3-amino-4-fluoro-1-methylcyclohexan-1-ol has a molecular weight of 147.19 g/mol, XLogP of 0.59, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-1-methylcyclohexan-1-ol is sourced from PubChem (CID 90763186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).