2-(3,5-difluorophenyl)-1,1-difluoropropan-2-amine

C9H9F4N — CID 80604544

IUPAC2-(3,5-difluorophenyl)-1,1-difluoropropan-2-amine
SMILESCC(N)(c1cc(F)cc(F)c1)C(F)F
InChIInChI=1S/C9H9F4N/c1-9(14,8(12)13)5-2-6(10)4-7(11)3-5/h2-4,8H,14H2,1H3
InChIKeyOZFCYBLHFHBAMJ-UHFFFAOYSA-N
MW207.17 g/mol
LogP2.40
Rot. Bonds2

About 2-(3,5-difluorophenyl)-1,1-difluoropropan-2-amine

2-(3,5-difluorophenyl)-1,1-difluoropropan-2-amine (PubChem CID 80604544) has the molecular formula C9H9F4N and a molecular weight of 207.17 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1,1-difluoropropan-2-amine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1,1-difluoropropan-2-amine
PubChem CID80604544
Molecular FormulaC9H9F4N
Molecular Weight207.17 g/mol
Exact Mass207.07
IUPAC Name2-(3,5-difluorophenyl)-1,1-difluoropropan-2-amine
SMILESCC(N)(c1cc(F)cc(F)c1)C(F)F
InChIInChI=1S/C9H9F4N/c1-9(14,8(12)13)5-2-6(10)4-7(11)3-5/h2-4,8H,14H2,1H3
InChIKeyOZFCYBLHFHBAMJ-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dimethylbutan-2-yl)-3,5-difluorobenzene
CID 146551648
(2R)-2-amino-2-(3,5-difluorophenyl)propanoic acid
CID 91290117
1-cyclopropyl-1-(3,5-difluorophenyl)ethanamine
CID 82235880
1-(3,5-difluorophenyl)-2-methylpropan-2-amine
CID 22063501
1-tert-butyl-3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)benzene
CID 59192723
2-(2,4-dichloro-5-fluorophenyl)-1,1-difluoropropan-2-amine
CID 131580102
2-(3,4-dipropoxyphenyl)-1,1-difluoropropan-2-amine
CID 80605959
1-(3-chlorophenyl)-1-(3,5-difluorophenyl)ethanamine
CID 62789192
1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene
CID 22975209
(1R,2R)-1,2-bis(3,5-difluorophenyl)ethane-1,2-diamine
CID 58298555
2-bromo-1,1-difluoro-2-methylpropane
CID 139401194
2-(3,5-difluorophenyl)-2-ethylbutan-1-amine
CID 61496563

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1,1-difluoropropan-2-amine?
The IUPAC name of 2-(3,5-difluorophenyl)-1,1-difluoropropan-2-amine (CID 80604544) is 2-(3,5-difluorophenyl)-1,1-difluoropropan-2-amine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1,1-difluoropropan-2-amine?
The canonical SMILES for 2-(3,5-difluorophenyl)-1,1-difluoropropan-2-amine is CC(N)(c1cc(F)cc(F)c1)C(F)F.
What is the InChIKey of 2-(3,5-difluorophenyl)-1,1-difluoropropan-2-amine?
The InChIKey is OZFCYBLHFHBAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4N/c1-9(14,8(12)13)5-2-6(10)4-7(11)3-5/h2-4,8H,14H2,1H3.
What are the key properties of 2-(3,5-difluorophenyl)-1,1-difluoropropan-2-amine?
2-(3,5-difluorophenyl)-1,1-difluoropropan-2-amine has a molecular weight of 207.17 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1,1-difluoropropan-2-amine is sourced from PubChem (CID 80604544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).