3-(3,4-dichlorophenyl)-3-fluorobutan-2-amine

C10H12Cl2FN — CID 130574670

IUPAC3-(3,4-dichlorophenyl)-3-fluorobutan-2-amine
SMILESCC(N)C(C)(F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl2FN/c1-6(14)10(2,13)7-3-4-8(11)9(12)5-7/h3-6H,14H2,1-2H3
InChIKeyIUTBFDNJCKJZKU-UHFFFAOYSA-N
MW236.12 g/mol
LogP3.53
Rot. Bonds2

About 3-(3,4-dichlorophenyl)-3-fluorobutan-2-amine

3-(3,4-dichlorophenyl)-3-fluorobutan-2-amine (PubChem CID 130574670) has the molecular formula C10H12Cl2FN and a molecular weight of 236.12 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-3-fluorobutan-2-amine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-3-fluorobutan-2-amine
PubChem CID130574670
Molecular FormulaC10H12Cl2FN
Molecular Weight236.12 g/mol
Exact Mass235.03
IUPAC Name3-(3,4-dichlorophenyl)-3-fluorobutan-2-amine
SMILESCC(N)C(C)(F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl2FN/c1-6(14)10(2,13)7-3-4-8(11)9(12)5-7/h3-6H,14H2,1-2H3
InChIKeyIUTBFDNJCKJZKU-UHFFFAOYSA-N
XLogP3.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.12
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-dichlorophenyl)-1,1,1-trifluoro-3-methylbutan-2-amine
CID 132588737
1,2-dichloro-4-(2-fluoropropan-2-yl)benzene
CID 84674781
1-(3,4-dichlorophenyl)-1,1-diphenylpropan-2-amine
CID 54046222
3-(3,4-dichlorophenyl)-3-methylbutan-2-ol
CID 66740002
(2S,3S)-4-amino-3-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-ol
CID 66792507
3-fluoro-3-(4-methoxyphenyl)butan-2-amine
CID 105450720
3-(2-chlorophenyl)-3-fluorobutan-2-amine
CID 105454003
3-amino-2-(3,4-dichlorophenyl)-1,1,1-trifluoropentan-2-ol
CID 63083776
2-(3,4-dichlorophenyl)-2-methylpropan-1-amine
CID 13290303
N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]propan-2-amine
CID 83108581
(1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanamine
CID 129407606
(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanamine
CID 71074670

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-3-fluorobutan-2-amine?
The IUPAC name of 3-(3,4-dichlorophenyl)-3-fluorobutan-2-amine (CID 130574670) is 3-(3,4-dichlorophenyl)-3-fluorobutan-2-amine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-3-fluorobutan-2-amine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-3-fluorobutan-2-amine is CC(N)C(C)(F)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-3-fluorobutan-2-amine?
The InChIKey is IUTBFDNJCKJZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2FN/c1-6(14)10(2,13)7-3-4-8(11)9(12)5-7/h3-6H,14H2,1-2H3.
What are the key properties of 3-(3,4-dichlorophenyl)-3-fluorobutan-2-amine?
3-(3,4-dichlorophenyl)-3-fluorobutan-2-amine has a molecular weight of 236.12 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-3-fluorobutan-2-amine is sourced from PubChem (CID 130574670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).