(1R)-2,2,3,3,3-pentafluoro-1-(3-phenylmethoxyphenyl)propan-1-amine

C16H14F5NO — CID 171312580

IUPAC(1R)-2,2,3,3,3-pentafluoro-1-(3-phenylmethoxyphenyl)propan-1-amine
SMILESN[C@H](c1cccc(OCc2ccccc2)c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H14F5NO/c17-15(18,16(19,20)21)14(22)12-7-4-8-13(9-12)23-10-11-5-2-1-3-6-11/h1-9,14H,10,22H2/t14-/m1/s1
InChIKeyIUQAENRLZBBCKA-CQSZACIVSA-N
MW331.28 g/mol
LogP4.46
Rot. Bonds5

About (1R)-2,2,3,3,3-pentafluoro-1-(3-phenylmethoxyphenyl)propan-1-amine

(1R)-2,2,3,3,3-pentafluoro-1-(3-phenylmethoxyphenyl)propan-1-amine (PubChem CID 171312580) has the molecular formula C16H14F5NO and a molecular weight of 331.28 g/mol. Its IUPAC name is (1R)-2,2,3,3,3-pentafluoro-1-(3-phenylmethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-2,2,3,3,3-pentafluoro-1-(3-phenylmethoxyphenyl)propan-1-amine
PubChem CID171312580
Molecular FormulaC16H14F5NO
Molecular Weight331.28 g/mol
Exact Mass331.10
IUPAC Name(1R)-2,2,3,3,3-pentafluoro-1-(3-phenylmethoxyphenyl)propan-1-amine
SMILESN[C@H](c1cccc(OCc2ccccc2)c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H14F5NO/c17-15(18,16(19,20)21)14(22)12-7-4-8-13(9-12)23-10-11-5-2-1-3-6-11/h1-9,14H,10,22H2/t14-/m1/s1
InChIKeyIUQAENRLZBBCKA-CQSZACIVSA-N
XLogP4.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243477
ethyl (3S)-3-amino-2,2-difluoro-3-(3-phenylmethoxyphenyl)propanoate
CID 171250199
(1R)-4,4,4-trifluoro-1-(3-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171211275
(2R)-2-amino-2-(3-phenylmethoxyphenyl)ethanol
CID 66515455
(1R)-2,2,2-trifluoro-1-[3-[(3-fluorophenyl)methoxy]phenyl]ethanamine
CID 66512164
(1R)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171312680
(1R)-1-(3-phenylmethoxyphenyl)propane-1,3-diamine
CID 171211251
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166
(1S)-1-(3-phenylmethoxyphenyl)butan-1-amine
CID 139719271
(1R)-2,2,3,3,3-pentafluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride
CID 171312484
(1S)-1-(3-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171230857
(1R)-1-(3-phenylmethoxyphenyl)pentane-1,5-diamine
CID 171211255

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,3,3,3-pentafluoro-1-(3-phenylmethoxyphenyl)propan-1-amine?
The IUPAC name of (1R)-2,2,3,3,3-pentafluoro-1-(3-phenylmethoxyphenyl)propan-1-amine (CID 171312580) is (1R)-2,2,3,3,3-pentafluoro-1-(3-phenylmethoxyphenyl)propan-1-amine.
What is the SMILES notation for (1R)-2,2,3,3,3-pentafluoro-1-(3-phenylmethoxyphenyl)propan-1-amine?
The canonical SMILES for (1R)-2,2,3,3,3-pentafluoro-1-(3-phenylmethoxyphenyl)propan-1-amine is N[C@H](c1cccc(OCc2ccccc2)c1)C(F)(F)C(F)(F)F.
What is the InChIKey of (1R)-2,2,3,3,3-pentafluoro-1-(3-phenylmethoxyphenyl)propan-1-amine?
The InChIKey is IUQAENRLZBBCKA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H14F5NO/c17-15(18,16(19,20)21)14(22)12-7-4-8-13(9-12)23-10-11-5-2-1-3-6-11/h1-9,14H,10,22H2/t14-/m1/s1.
What are the key properties of (1R)-2,2,3,3,3-pentafluoro-1-(3-phenylmethoxyphenyl)propan-1-amine?
(1R)-2,2,3,3,3-pentafluoro-1-(3-phenylmethoxyphenyl)propan-1-amine has a molecular weight of 331.28 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,3,3,3-pentafluoro-1-(3-phenylmethoxyphenyl)propan-1-amine is sourced from PubChem (CID 171312580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).