2-[(3-chloro-4-fluorophenyl)methyl]-3,3,3-trifluoropropan-1-amine

C10H10ClF4N — CID 82534338

IUPAC2-[(3-chloro-4-fluorophenyl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESNCC(Cc1ccc(F)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C10H10ClF4N/c11-8-4-6(1-2-9(8)12)3-7(5-16)10(13,14)15/h1-2,4,7H,3,5,16H2
InChIKeyUOQCBCKVYGPQSD-UHFFFAOYSA-N
MW255.64 g/mol
LogP3.16
Rot. Bonds3

About 2-[(3-chloro-4-fluorophenyl)methyl]-3,3,3-trifluoropropan-1-amine

2-[(3-chloro-4-fluorophenyl)methyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 82534338) has the molecular formula C10H10ClF4N and a molecular weight of 255.64 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)methyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)methyl]-3,3,3-trifluoropropan-1-amine
PubChem CID82534338
Molecular FormulaC10H10ClF4N
Molecular Weight255.64 g/mol
Exact Mass255.04
IUPAC Name2-[(3-chloro-4-fluorophenyl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESNCC(Cc1ccc(F)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C10H10ClF4N/c11-8-4-6(1-2-9(8)12)3-7(5-16)10(13,14)15/h1-2,4,7H,3,5,16H2
InChIKeyUOQCBCKVYGPQSD-UHFFFAOYSA-N
XLogP3.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.64
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3-chloro-4-fluorophenyl)methyl]-4,4,4-trifluorobutanoic acid
CID 82534840
3-[(3,4-difluorophenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 82534793
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568
3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine
CID 103041153
4-[2-(aminomethyl)-3,3,3-trifluoropropyl]phenol
CID 115031161
1-(3-chloro-4-fluorophenyl)butan-2-amine
CID 79020957
1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 103040033
2-(3-chloro-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 103043034
2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 103040965
3-[(3,5-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 82534768
1-(3-chloro-4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 103040194
1-(3-chloro-4-fluorophenyl)-4-methylpentan-2-ol
CID 103039007

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl]-3,3,3-trifluoropropan-1-amine (CID 82534338) is 2-[(3-chloro-4-fluorophenyl)methyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)methyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)methyl]-3,3,3-trifluoropropan-1-amine is NCC(Cc1ccc(F)c(Cl)c1)C(F)(F)F.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)methyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is UOQCBCKVYGPQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF4N/c11-8-4-6(1-2-9(8)12)3-7(5-16)10(13,14)15/h1-2,4,7H,3,5,16H2.
What are the key properties of 2-[(3-chloro-4-fluorophenyl)methyl]-3,3,3-trifluoropropan-1-amine?
2-[(3-chloro-4-fluorophenyl)methyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 255.64 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)methyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 82534338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).