2-[(2-fluoro-4-methylidenecyclohexyl)amino]ethanol

C9H16FNO — CID 91362320

IUPAC2-[(2-fluoro-4-methylidenecyclohexyl)amino]ethanol
SMILESC=C1CCC(NCCO)C(F)C1
InChIInChI=1S/C9H16FNO/c1-7-2-3-9(8(10)6-7)11-4-5-12/h8-9,11-12H,1-6H2
InChIKeyFAHNGUCDSWBHOA-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.02
Rot. Bonds3

About 2-[(2-fluoro-4-methylidenecyclohexyl)amino]ethanol

2-[(2-fluoro-4-methylidenecyclohexyl)amino]ethanol (PubChem CID 91362320) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 2-[(2-fluoro-4-methylidenecyclohexyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-fluoro-4-methylidenecyclohexyl)amino]ethanol
PubChem CID91362320
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name2-[(2-fluoro-4-methylidenecyclohexyl)amino]ethanol
SMILESC=C1CCC(NCCO)C(F)C1
InChIInChI=1S/C9H16FNO/c1-7-2-3-9(8(10)6-7)11-4-5-12/h8-9,11-12H,1-6H2
InChIKeyFAHNGUCDSWBHOA-UHFFFAOYSA-N
XLogP1.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-4-methylidenecyclohexan-1-amine
CID 58902699
2-[(4-Methylidenecyclohexyl)amino]ethanol
CID 58902764
2-[[(1S)-2-methylidenecyclohexyl]amino]ethanol;(3Z)-penta-1,3-diene
CID 166169517
2-[[(1S)-2-methylidenecyclohexyl]amino]ethanol
CID 166169518

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-4-methylidenecyclohexyl)amino]ethanol?
The IUPAC name of 2-[(2-fluoro-4-methylidenecyclohexyl)amino]ethanol (CID 91362320) is 2-[(2-fluoro-4-methylidenecyclohexyl)amino]ethanol.
What is the SMILES notation for 2-[(2-fluoro-4-methylidenecyclohexyl)amino]ethanol?
The canonical SMILES for 2-[(2-fluoro-4-methylidenecyclohexyl)amino]ethanol is C=C1CCC(NCCO)C(F)C1.
What is the InChIKey of 2-[(2-fluoro-4-methylidenecyclohexyl)amino]ethanol?
The InChIKey is FAHNGUCDSWBHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-7-2-3-9(8(10)6-7)11-4-5-12/h8-9,11-12H,1-6H2.
What are the key properties of 2-[(2-fluoro-4-methylidenecyclohexyl)amino]ethanol?
2-[(2-fluoro-4-methylidenecyclohexyl)amino]ethanol has a molecular weight of 173.23 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-4-methylidenecyclohexyl)amino]ethanol is sourced from PubChem (CID 91362320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).