2,2-difluoro-3-(3-fluorophenyl)-N-methylpropan-1-amine

C10H12F3N — CID 105455069

IUPAC2,2-difluoro-3-(3-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(F)(F)Cc1cccc(F)c1
InChIInChI=1S/C10H12F3N/c1-14-7-10(12,13)6-8-3-2-4-9(11)5-8/h2-5,14H,6-7H2,1H3
InChIKeyFEHQYLXZBDMXTF-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.22
Rot. Bonds4

About 2,2-difluoro-3-(3-fluorophenyl)-N-methylpropan-1-amine

2,2-difluoro-3-(3-fluorophenyl)-N-methylpropan-1-amine (PubChem CID 105455069) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 2,2-difluoro-3-(3-fluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-3-(3-fluorophenyl)-N-methylpropan-1-amine
PubChem CID105455069
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name2,2-difluoro-3-(3-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(F)(F)Cc1cccc(F)c1
InChIInChI=1S/C10H12F3N/c1-14-7-10(12,13)6-8-3-2-4-9(11)5-8/h2-5,14H,6-7H2,1H3
InChIKeyFEHQYLXZBDMXTF-UHFFFAOYSA-N
XLogP2.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-N-[(3-fluorophenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115132755
2-[(3-fluorophenyl)methyl]-N-methyl-2-phenylbutan-1-amine
CID 62723869
4-(3-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 81022804
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
1-(3-fluorophenyl)-N-methylmethanamine;methane
CID 144941396
(Z)-4-(3-fluorophenyl)-N-methylbut-2-en-1-amine
CID 117265824
3,3-difluoro-4-(3-fluorophenyl)butan-2-amine
CID 105455070
N-tert-butyl-2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-amine
CID 63507260
N-ethyl-3-[(3-fluorophenyl)methyl]pentan-3-amine
CID 71052511
2-fluoro-N,2-dimethyl-3-(3-methylphenyl)propan-1-amine
CID 105449360
1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 60798491
1-(3-fluorophenyl)-2-methyl-3-phenylpropan-2-amine
CID 115608470

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(3-fluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 2,2-difluoro-3-(3-fluorophenyl)-N-methylpropan-1-amine (CID 105455069) is 2,2-difluoro-3-(3-fluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2,2-difluoro-3-(3-fluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2,2-difluoro-3-(3-fluorophenyl)-N-methylpropan-1-amine is CNCC(F)(F)Cc1cccc(F)c1.
What is the InChIKey of 2,2-difluoro-3-(3-fluorophenyl)-N-methylpropan-1-amine?
The InChIKey is FEHQYLXZBDMXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-14-7-10(12,13)6-8-3-2-4-9(11)5-8/h2-5,14H,6-7H2,1H3.
What are the key properties of 2,2-difluoro-3-(3-fluorophenyl)-N-methylpropan-1-amine?
2,2-difluoro-3-(3-fluorophenyl)-N-methylpropan-1-amine has a molecular weight of 203.21 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(3-fluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 105455069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).