4-fluoro-3-(methylamino)cyclohexan-1-ol

C7H14FNO — CID 123773498

IUPAC4-fluoro-3-(methylamino)cyclohexan-1-ol
SMILESCNC1CC(O)CCC1F
InChIInChI=1S/C7H14FNO/c1-9-7-4-5(10)2-3-6(7)8/h5-7,9-10H,2-4H2,1H3
InChIKeySFPDIXHYRWTOEP-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.46
Rot. Bonds1

About 4-fluoro-3-(methylamino)cyclohexan-1-ol

4-fluoro-3-(methylamino)cyclohexan-1-ol (PubChem CID 123773498) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 4-fluoro-3-(methylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-fluoro-3-(methylamino)cyclohexan-1-ol
PubChem CID123773498
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name4-fluoro-3-(methylamino)cyclohexan-1-ol
SMILESCNC1CC(O)CCC1F
InChIInChI=1S/C7H14FNO/c1-9-7-4-5(10)2-3-6(7)8/h5-7,9-10H,2-4H2,1H3
InChIKeySFPDIXHYRWTOEP-UHFFFAOYSA-N
XLogP0.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(methylamino)cyclohexan-1-ol?
The IUPAC name of 4-fluoro-3-(methylamino)cyclohexan-1-ol (CID 123773498) is 4-fluoro-3-(methylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-fluoro-3-(methylamino)cyclohexan-1-ol?
The canonical SMILES for 4-fluoro-3-(methylamino)cyclohexan-1-ol is CNC1CC(O)CCC1F.
What is the InChIKey of 4-fluoro-3-(methylamino)cyclohexan-1-ol?
The InChIKey is SFPDIXHYRWTOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-9-7-4-5(10)2-3-6(7)8/h5-7,9-10H,2-4H2,1H3.
What are the key properties of 4-fluoro-3-(methylamino)cyclohexan-1-ol?
4-fluoro-3-(methylamino)cyclohexan-1-ol has a molecular weight of 147.19 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(methylamino)cyclohexan-1-ol is sourced from PubChem (CID 123773498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).