1,1,1,2-tetrafluoro-3-phenylpropan-2-amine

C9H9F4N — CID 174465813

IUPAC1,1,1,2-tetrafluoro-3-phenylpropan-2-amine
SMILESNC(F)(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C9H9F4N/c10-8(14,9(11,12)13)6-7-4-2-1-3-5-7/h1-5H,6,14H2
InChIKeyQLCXYVPDVISCPG-UHFFFAOYSA-N
MW207.17 g/mol
LogP2.42
Rot. Bonds2

About 1,1,1,2-tetrafluoro-3-phenylpropan-2-amine

1,1,1,2-tetrafluoro-3-phenylpropan-2-amine (PubChem CID 174465813) has the molecular formula C9H9F4N and a molecular weight of 207.17 g/mol. Its IUPAC name is 1,1,1,2-tetrafluoro-3-phenylpropan-2-amine.

Molecular Properties

Compound Name1,1,1,2-tetrafluoro-3-phenylpropan-2-amine
PubChem CID174465813
Molecular FormulaC9H9F4N
Molecular Weight207.17 g/mol
Exact Mass207.07
IUPAC Name1,1,1,2-tetrafluoro-3-phenylpropan-2-amine
SMILESNC(F)(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C9H9F4N/c10-8(14,9(11,12)13)6-7-4-2-1-3-5-7/h1-5H,6,14H2
InChIKeyQLCXYVPDVISCPG-UHFFFAOYSA-N
XLogP2.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-2-benzyl-3,3,3-trifluoropropanamide
CID 135070263
(2R)-2-amino-2-fluoro-3-phenylpropanoic acid
CID 54456970
(2-fluoro-2-methylpropyl)benzene
CID 14343442
ethane;2,2,2-trifluoroethylbenzene
CID 142152613
azane;2,2,2-trifluoroethylbenzene;hydrochloride
CID 175467010
3-benzyl-3,4,4,4-tetrafluorobutan-1-amine
CID 115040640
2,2-difluorobutylbenzene
CID 12695736
1,1,2-triphenylethanamine;hydrobromide
CID 175347021
2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 173297949
1,1,1-trifluoro-2,3-diphenylpropan-2-ol
CID 12697056
1-benzyl-4-(2,2,2-trifluoroethyl)benzene
CID 172715361
methyl (2R)-2-amino-2-benzyl-3,3,3-trifluoropropanoate
CID 10922854

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrafluoro-3-phenylpropan-2-amine?
The IUPAC name of 1,1,1,2-tetrafluoro-3-phenylpropan-2-amine (CID 174465813) is 1,1,1,2-tetrafluoro-3-phenylpropan-2-amine.
What is the SMILES notation for 1,1,1,2-tetrafluoro-3-phenylpropan-2-amine?
The canonical SMILES for 1,1,1,2-tetrafluoro-3-phenylpropan-2-amine is NC(F)(Cc1ccccc1)C(F)(F)F.
What is the InChIKey of 1,1,1,2-tetrafluoro-3-phenylpropan-2-amine?
The InChIKey is QLCXYVPDVISCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4N/c10-8(14,9(11,12)13)6-7-4-2-1-3-5-7/h1-5H,6,14H2.
What are the key properties of 1,1,1,2-tetrafluoro-3-phenylpropan-2-amine?
1,1,1,2-tetrafluoro-3-phenylpropan-2-amine has a molecular weight of 207.17 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrafluoro-3-phenylpropan-2-amine is sourced from PubChem (CID 174465813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).