[4-(2,2-difluoropropyl)phenyl]methanamine

C10H13F2N — CID 84660094

IUPAC[4-(2,2-difluoropropyl)phenyl]methanamine
SMILESCC(F)(F)Cc1ccc(CN)cc1
InChIInChI=1S/C10H13F2N/c1-10(11,12)6-8-2-4-9(7-13)5-3-8/h2-5H,6-7,13H2,1H3
InChIKeyVNJWUJZSKDAHLM-UHFFFAOYSA-N
MW185.22 g/mol
LogP2.34
Rot. Bonds3

About [4-(2,2-difluoropropyl)phenyl]methanamine

[4-(2,2-difluoropropyl)phenyl]methanamine (PubChem CID 84660094) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is [4-(2,2-difluoropropyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2,2-difluoropropyl)phenyl]methanamine
PubChem CID84660094
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC Name[4-(2,2-difluoropropyl)phenyl]methanamine
SMILESCC(F)(F)Cc1ccc(CN)cc1
InChIInChI=1S/C10H13F2N/c1-10(11,12)6-8-2-4-9(7-13)5-3-8/h2-5H,6-7,13H2,1H3
InChIKeyVNJWUJZSKDAHLM-UHFFFAOYSA-N
XLogP2.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-(2,2-difluoropropyl)phenyl]butan-1-amine
CID 117327291
1-(2,2-difluoropropyl)-4-methylbenzene;ethane;methanol
CID 143347604
[4-(2-methoxy-2-methylpropyl)phenyl]methanamine
CID 117110760
4-[2-[4-(aminomethyl)phenyl]-2-methylpropyl]phenol
CID 174702747
4-(aminomethyl)-N-(3-fluoro-3-methylbutyl)aniline
CID 84677883
[4-(2-fluoro-2-methylpropoxy)phenyl]methanamine
CID 84667770
[4-(2,2-difluoropropyl)phenyl]methanesulfonyl chloride
CID 117425179
[4-(trifluoromethylperoxy)phenyl]methanamine
CID 150309144
[4-(1,1-difluoropropyl)phenyl]methanamine
CID 67499237
1-[[4-(2,2-difluoropropyl)phenyl]methyl]cyclopropan-1-ol
CID 117325494
2-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid
CID 138583978
2,2-dimethylpropane;phenylmethanamine
CID 158787980

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-difluoropropyl)phenyl]methanamine?
The IUPAC name of [4-(2,2-difluoropropyl)phenyl]methanamine (CID 84660094) is [4-(2,2-difluoropropyl)phenyl]methanamine.
What is the SMILES notation for [4-(2,2-difluoropropyl)phenyl]methanamine?
The canonical SMILES for [4-(2,2-difluoropropyl)phenyl]methanamine is CC(F)(F)Cc1ccc(CN)cc1.
What is the InChIKey of [4-(2,2-difluoropropyl)phenyl]methanamine?
The InChIKey is VNJWUJZSKDAHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N/c1-10(11,12)6-8-2-4-9(7-13)5-3-8/h2-5H,6-7,13H2,1H3.
What are the key properties of [4-(2,2-difluoropropyl)phenyl]methanamine?
[4-(2,2-difluoropropyl)phenyl]methanamine has a molecular weight of 185.22 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-difluoropropyl)phenyl]methanamine is sourced from PubChem (CID 84660094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).