(1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexan-1-amine

C14H19F2NO — CID 59834876

IUPAC(1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexan-1-amine
SMILESN[C@H]1CC[C@H](OC[C@@H](F)c2ccccc2)[C@@H](F)C1
InChIInChI=1S/C14H19F2NO/c15-12-8-11(17)6-7-14(12)18-9-13(16)10-4-2-1-3-5-10/h1-5,11-14H,6-9,17H2/t11-,12-,13+,14-/m0/s1
InChIKeyQKEWXGSKIPZQQE-FQUUOJAGSA-N
MW255.31 g/mol
LogP2.93
Rot. Bonds4

About (1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexan-1-amine

(1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexan-1-amine (PubChem CID 59834876) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is (1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexan-1-amine.

Molecular Properties

Compound Name(1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexan-1-amine
PubChem CID59834876
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name(1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexan-1-amine
SMILESN[C@H]1CC[C@H](OC[C@@H](F)c2ccccc2)[C@@H](F)C1
InChIInChI=1S/C14H19F2NO/c15-12-8-11(17)6-7-14(12)18-9-13(16)10-4-2-1-3-5-10/h1-5,11-14H,6-9,17H2/t11-,12-,13+,14-/m0/s1
InChIKeyQKEWXGSKIPZQQE-FQUUOJAGSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexan-1-amine?
The IUPAC name of (1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexan-1-amine (CID 59834876) is (1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexan-1-amine.
What is the SMILES notation for (1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexan-1-amine?
The canonical SMILES for (1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexan-1-amine is N[C@H]1CC[C@H](OC[C@@H](F)c2ccccc2)[C@@H](F)C1.
What is the InChIKey of (1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexan-1-amine?
The InChIKey is QKEWXGSKIPZQQE-FQUUOJAGSA-N. The full InChI is InChI=1S/C14H19F2NO/c15-12-8-11(17)6-7-14(12)18-9-13(16)10-4-2-1-3-5-10/h1-5,11-14H,6-9,17H2/t11-,12-,13+,14-/m0/s1.
What are the key properties of (1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexan-1-amine?
(1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexan-1-amine has a molecular weight of 255.31 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S)-3-fluoro-4-[(2S)-2-fluoro-2-phenylethoxy]cyclohexan-1-amine is sourced from PubChem (CID 59834876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).