3-(4-chlorophenyl)-2-fluoro-2-methylpropan-1-amine

C10H13ClFN — CID 84721389

IUPAC3-(4-chlorophenyl)-2-fluoro-2-methylpropan-1-amine
SMILESCC(F)(CN)Cc1ccc(Cl)cc1
InChIInChI=1S/C10H13ClFN/c1-10(12,7-13)6-8-2-4-9(11)5-3-8/h2-5H,6-7,13H2,1H3
InChIKeyNVYLWWDYHDGGFW-UHFFFAOYSA-N
MW201.67 g/mol
LogP2.57
Rot. Bonds3

About 3-(4-chlorophenyl)-2-fluoro-2-methylpropan-1-amine

3-(4-chlorophenyl)-2-fluoro-2-methylpropan-1-amine (PubChem CID 84721389) has the molecular formula C10H13ClFN and a molecular weight of 201.67 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-fluoro-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-fluoro-2-methylpropan-1-amine
PubChem CID84721389
Molecular FormulaC10H13ClFN
Molecular Weight201.67 g/mol
Exact Mass201.07
IUPAC Name3-(4-chlorophenyl)-2-fluoro-2-methylpropan-1-amine
SMILESCC(F)(CN)Cc1ccc(Cl)cc1
InChIInChI=1S/C10H13ClFN/c1-10(12,7-13)6-8-2-4-9(11)5-3-8/h2-5H,6-7,13H2,1H3
InChIKeyNVYLWWDYHDGGFW-UHFFFAOYSA-N
XLogP2.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diamine
CID 122239721
1-chloro-4-(2-chloro-2-methylpropyl)benzene
CID 82026569
3-(4-chlorophenyl)-2-cyclopropyl-2-fluoropropan-1-amine
CID 112567120
3-(4-chlorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
CID 84752089
3-(4-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 84752139
2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diol
CID 122239719
3-fluoro-3-methyl-4-phenylbutan-1-amine
CID 83855362
1-amino-2-(4-chlorophenyl)propan-2-ol;hydrochloride
CID 17039441
2-amino-3-(4-chlorophenyl)-2-methylpropanenitrile
CID 82076008
1-(4-chlorophenyl)-2-cyclopropylpropan-2-amine
CID 114996120
[4-(2,2-difluoropropyl)phenyl]methanamine
CID 84660094
1-(4-chlorophenyl)-2-N',2-N'-diethylpropane-2,2-diamine
CID 84752651

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-fluoro-2-methylpropan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-2-fluoro-2-methylpropan-1-amine (CID 84721389) is 3-(4-chlorophenyl)-2-fluoro-2-methylpropan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-fluoro-2-methylpropan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-2-fluoro-2-methylpropan-1-amine is CC(F)(CN)Cc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-fluoro-2-methylpropan-1-amine?
The InChIKey is NVYLWWDYHDGGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN/c1-10(12,7-13)6-8-2-4-9(11)5-3-8/h2-5H,6-7,13H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-2-fluoro-2-methylpropan-1-amine?
3-(4-chlorophenyl)-2-fluoro-2-methylpropan-1-amine has a molecular weight of 201.67 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-fluoro-2-methylpropan-1-amine is sourced from PubChem (CID 84721389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).