3-[4-(1,1-difluoropropyl)phenyl]-2,2-dimethylpropan-1-amine

C14H21F2N — CID 116991904

IUPAC3-[4-(1,1-difluoropropyl)phenyl]-2,2-dimethylpropan-1-amine
SMILESCCC(F)(F)c1ccc(CC(C)(C)CN)cc1
InChIInChI=1S/C14H21F2N/c1-4-14(15,16)12-7-5-11(6-8-12)9-13(2,3)10-17/h5-8H,4,9-10,17H2,1-3H3
InChIKeyKJZBFQFDWZTJAI-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.72
Rot. Bonds5

About 3-[4-(1,1-difluoropropyl)phenyl]-2,2-dimethylpropan-1-amine

3-[4-(1,1-difluoropropyl)phenyl]-2,2-dimethylpropan-1-amine (PubChem CID 116991904) has the molecular formula C14H21F2N and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-[4-(1,1-difluoropropyl)phenyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(1,1-difluoropropyl)phenyl]-2,2-dimethylpropan-1-amine
PubChem CID116991904
Molecular FormulaC14H21F2N
Molecular Weight241.32 g/mol
Exact Mass241.16
IUPAC Name3-[4-(1,1-difluoropropyl)phenyl]-2,2-dimethylpropan-1-amine
SMILESCCC(F)(F)c1ccc(CC(C)(C)CN)cc1
InChIInChI=1S/C14H21F2N/c1-4-14(15,16)12-7-5-11(6-8-12)9-13(2,3)10-17/h5-8H,4,9-10,17H2,1-3H3
InChIKeyKJZBFQFDWZTJAI-UHFFFAOYSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62740976
[4-(1,1-difluoropropyl)phenyl]methanamine
CID 67499237
3-(4-bromophenyl)-2,2-dimethylpropan-1-amine
CID 56687188
2-ethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 62724100
1-(2-chloroethyl)-4-(1,1-difluoropropyl)benzene
CID 116991930
4-(3-amino-2,2-dimethylpropyl)-N,N-dimethylaniline
CID 82111054
2-[(4-tert-butylphenyl)methyl]-2-ethylbutan-1-amine
CID 63522510
2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 95443580
2-[4-(1,1-difluoropropyl)phenyl]-N-methylethanamine
CID 116991893
2,2-dimethyl-3-(4-phenoxyphenyl)propan-1-amine
CID 95464223
1-(2,2-dimethylhexyl)-4-(trifluoromethyl)benzene
CID 146324258
2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 83160551

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,1-difluoropropyl)phenyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-[4-(1,1-difluoropropyl)phenyl]-2,2-dimethylpropan-1-amine (CID 116991904) is 3-[4-(1,1-difluoropropyl)phenyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-(1,1-difluoropropyl)phenyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-(1,1-difluoropropyl)phenyl]-2,2-dimethylpropan-1-amine is CCC(F)(F)c1ccc(CC(C)(C)CN)cc1.
What is the InChIKey of 3-[4-(1,1-difluoropropyl)phenyl]-2,2-dimethylpropan-1-amine?
The InChIKey is KJZBFQFDWZTJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N/c1-4-14(15,16)12-7-5-11(6-8-12)9-13(2,3)10-17/h5-8H,4,9-10,17H2,1-3H3.
What are the key properties of 3-[4-(1,1-difluoropropyl)phenyl]-2,2-dimethylpropan-1-amine?
3-[4-(1,1-difluoropropyl)phenyl]-2,2-dimethylpropan-1-amine has a molecular weight of 241.32 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,1-difluoropropyl)phenyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 116991904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).