3-[5-chloro-2-(trifluoromethyl)phenyl]prop-2-en-1-amine

C10H9ClF3N — CID 169463990

IUPAC3-[5-chloro-2-(trifluoromethyl)phenyl]prop-2-en-1-amine
SMILESNCC=Cc1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C10H9ClF3N/c11-8-3-4-9(10(12,13)14)7(6-8)2-1-5-15/h1-4,6H,5,15H2
InChIKeyLTEJCPNADAPTOZ-UHFFFAOYSA-N
MW235.64 g/mol
LogP3.33
Rot. Bonds2

About 3-[5-chloro-2-(trifluoromethyl)phenyl]prop-2-en-1-amine

3-[5-chloro-2-(trifluoromethyl)phenyl]prop-2-en-1-amine (PubChem CID 169463990) has the molecular formula C10H9ClF3N and a molecular weight of 235.64 g/mol. Its IUPAC name is 3-[5-chloro-2-(trifluoromethyl)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name3-[5-chloro-2-(trifluoromethyl)phenyl]prop-2-en-1-amine
PubChem CID169463990
Molecular FormulaC10H9ClF3N
Molecular Weight235.64 g/mol
Exact Mass235.04
IUPAC Name3-[5-chloro-2-(trifluoromethyl)phenyl]prop-2-en-1-amine
SMILESNCC=Cc1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C10H9ClF3N/c11-8-3-4-9(10(12,13)14)7(6-8)2-1-5-15/h1-4,6H,5,15H2
InChIKeyLTEJCPNADAPTOZ-UHFFFAOYSA-N
XLogP3.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.64
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-Chlorophenyl)propan-1-amine
CID 6485772
(E)-2-(4-chlorophenyl)-3-fluoroprop-2-en-1-amine;hydrochloride
CID 13320117
2-[(4-Chlorophenyl)methyl]buta-2,3-dien-1-amine
CID 44265756
5-Chloro-2-methylbenzylamine
CID 2757673
(5-Chloro-2-methylphenyl)methanamine hydrochloride
CID 75525789
4-(3-Chlorophenyl)butan-1-amine
CID 10655071
3-(3-Chlorophenyl)propan-1-amine
CID 22246875
4-Chloro-2-methylbenzylamine
CID 2757672
5-Chloro-2-(Trifluoromethyl)Phenylacetonitrile
CID 2778126
4-Chloro-2-(trifluoromethyl)benzylamine
CID 17750830
1-[4-Chloro-2-(trifluoromethyl)phenyl]ethan-1-amine
CID 22612971
(5-Chloro-2-(trifluoromethyl)phenyl)methanamine hydrochloride
CID 57455738

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The IUPAC name of 3-[5-chloro-2-(trifluoromethyl)phenyl]prop-2-en-1-amine (CID 169463990) is 3-[5-chloro-2-(trifluoromethyl)phenyl]prop-2-en-1-amine.
What is the SMILES notation for 3-[5-chloro-2-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The canonical SMILES for 3-[5-chloro-2-(trifluoromethyl)phenyl]prop-2-en-1-amine is NCC=Cc1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of 3-[5-chloro-2-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The InChIKey is LTEJCPNADAPTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N/c11-8-3-4-9(10(12,13)14)7(6-8)2-1-5-15/h1-4,6H,5,15H2.
What are the key properties of 3-[5-chloro-2-(trifluoromethyl)phenyl]prop-2-en-1-amine?
3-[5-chloro-2-(trifluoromethyl)phenyl]prop-2-en-1-amine has a molecular weight of 235.64 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-(trifluoromethyl)phenyl]prop-2-en-1-amine is sourced from PubChem (CID 169463990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).