N-ethyl-1,1-difluoro-3-[4-(trifluoromethyl)phenyl]propan-2-amine

C12H14F5N — CID 103516579

IUPACN-ethyl-1,1-difluoro-3-[4-(trifluoromethyl)phenyl]propan-2-amine
SMILESCCNC(Cc1ccc(C(F)(F)F)cc1)C(F)F
InChIInChI=1S/C12H14F5N/c1-2-18-10(11(13)14)7-8-3-5-9(6-4-8)12(15,16)17/h3-6,10-11,18H,2,7H2,1H3
InChIKeyOJCGJJYKMLIBHM-UHFFFAOYSA-N
MW267.24 g/mol
LogP3.49
Rot. Bonds5

About N-ethyl-1,1-difluoro-3-[4-(trifluoromethyl)phenyl]propan-2-amine

N-ethyl-1,1-difluoro-3-[4-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 103516579) has the molecular formula C12H14F5N and a molecular weight of 267.24 g/mol. Its IUPAC name is N-ethyl-1,1-difluoro-3-[4-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1-difluoro-3-[4-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID103516579
Molecular FormulaC12H14F5N
Molecular Weight267.24 g/mol
Exact Mass267.10
IUPAC NameN-ethyl-1,1-difluoro-3-[4-(trifluoromethyl)phenyl]propan-2-amine
SMILESCCNC(Cc1ccc(C(F)(F)F)cc1)C(F)F
InChIInChI=1S/C12H14F5N/c1-2-18-10(11(13)14)7-8-3-5-9(6-4-8)12(15,16)17/h3-6,10-11,18H,2,7H2,1H3
InChIKeyOJCGJJYKMLIBHM-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine
CID 103759735
N-ethyl-5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 105044327
N-ethyl-5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 79954040
N,4-diethyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 105028045
(2S)-2-(ethylamino)-3-[4-(trifluoromethyl)phenyl]propanoic acid
CID 175779531
N-ethyl-1-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 62604911
2-N-ethyl-3-N,3-N,3-trimethyl-1-[4-(trifluoromethyl)phenyl]butane-2,3-diamine
CID 79046053
N-methyl-3-propyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 82989467
1-cyclobutyl-N-ethyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 55040821
3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516515
N-ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butan-2-amine
CID 103311673
N-ethyl-1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 80622626

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1-difluoro-3-[4-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of N-ethyl-1,1-difluoro-3-[4-(trifluoromethyl)phenyl]propan-2-amine (CID 103516579) is N-ethyl-1,1-difluoro-3-[4-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for N-ethyl-1,1-difluoro-3-[4-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for N-ethyl-1,1-difluoro-3-[4-(trifluoromethyl)phenyl]propan-2-amine is CCNC(Cc1ccc(C(F)(F)F)cc1)C(F)F.
What is the InChIKey of N-ethyl-1,1-difluoro-3-[4-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is OJCGJJYKMLIBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F5N/c1-2-18-10(11(13)14)7-8-3-5-9(6-4-8)12(15,16)17/h3-6,10-11,18H,2,7H2,1H3.
What are the key properties of N-ethyl-1,1-difluoro-3-[4-(trifluoromethyl)phenyl]propan-2-amine?
N-ethyl-1,1-difluoro-3-[4-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 267.24 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1-difluoro-3-[4-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 103516579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).