4-[(2S)-2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexan-1-amine

C14H19F2NO — CID 69278054

IUPAC4-[(2S)-2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexan-1-amine
SMILESNC1CCC(OC[C@@H](F)c2ccccc2F)CC1
InChIInChI=1S/C14H19F2NO/c15-13-4-2-1-3-12(13)14(16)9-18-11-7-5-10(17)6-8-11/h1-4,10-11,14H,5-9,17H2/t10?,11?,14-/m1/s1
InChIKeyOOZXPBVCWCBVDA-QIMFLAQGSA-N
MW255.31 g/mol
LogP3.12
Rot. Bonds4

About 4-[(2S)-2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexan-1-amine

4-[(2S)-2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexan-1-amine (PubChem CID 69278054) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 4-[(2S)-2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(2S)-2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexan-1-amine
PubChem CID69278054
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name4-[(2S)-2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexan-1-amine
SMILESNC1CCC(OC[C@@H](F)c2ccccc2F)CC1
InChIInChI=1S/C14H19F2NO/c15-13-4-2-1-3-12(13)14(16)9-18-11-7-5-10(17)6-8-11/h1-4,10-11,14H,5-9,17H2/t10?,11?,14-/m1/s1
InChIKeyOOZXPBVCWCBVDA-QIMFLAQGSA-N
XLogP3.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexan-1-amine?
The IUPAC name of 4-[(2S)-2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexan-1-amine (CID 69278054) is 4-[(2S)-2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexan-1-amine.
What is the SMILES notation for 4-[(2S)-2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexan-1-amine?
The canonical SMILES for 4-[(2S)-2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexan-1-amine is NC1CCC(OC[C@@H](F)c2ccccc2F)CC1.
What is the InChIKey of 4-[(2S)-2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexan-1-amine?
The InChIKey is OOZXPBVCWCBVDA-QIMFLAQGSA-N. The full InChI is InChI=1S/C14H19F2NO/c15-13-4-2-1-3-12(13)14(16)9-18-11-7-5-10(17)6-8-11/h1-4,10-11,14H,5-9,17H2/t10?,11?,14-/m1/s1.
What are the key properties of 4-[(2S)-2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexan-1-amine?
4-[(2S)-2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexan-1-amine has a molecular weight of 255.31 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexan-1-amine is sourced from PubChem (CID 69278054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).