(5-chlorofuran-2-yl)-[4-(trifluoromethyl)phenyl]methanamine

C12H9ClF3NO — CID 106691938

IUPAC(5-chlorofuran-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(C(F)(F)F)cc1)c1ccc(Cl)o1
InChIInChI=1S/C12H9ClF3NO/c13-10-6-5-9(18-10)11(17)7-1-3-8(4-2-7)12(14,15)16/h1-6,11H,17H2
InChIKeyUMENEVRYRGXCNW-UHFFFAOYSA-N
MW275.66 g/mol
LogP4.00
Rot. Bonds2

About (5-chlorofuran-2-yl)-[4-(trifluoromethyl)phenyl]methanamine

(5-chlorofuran-2-yl)-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 106691938) has the molecular formula C12H9ClF3NO and a molecular weight of 275.66 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID106691938
Molecular FormulaC12H9ClF3NO
Molecular Weight275.66 g/mol
Exact Mass275.03
IUPAC Name(5-chlorofuran-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(C(F)(F)F)cc1)c1ccc(Cl)o1
InChIInChI=1S/C12H9ClF3NO/c13-10-6-5-9(18-10)11(17)7-1-3-8(4-2-7)12(14,15)16/h1-6,11H,17H2
InChIKeyUMENEVRYRGXCNW-UHFFFAOYSA-N
XLogP4.00
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.66
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(5-chlorofuran-2-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 106694360
(5-chlorofuran-2-yl)-(3,5-difluorophenyl)methanamine
CID 106691928
(3-chloro-4-iodophenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 103215160
(2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 43104550
(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 80529980
(2,4-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 61273169
(3-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 105142603
(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine
CID 170898673
(4-methylsulfanylphenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 115852240
(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 130899133
(2S,3S)-3-amino-1,1,1-trifluoro-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 171161829
[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)methanamine
CID 43100339

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (5-chlorofuran-2-yl)-[4-(trifluoromethyl)phenyl]methanamine (CID 106691938) is (5-chlorofuran-2-yl)-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (5-chlorofuran-2-yl)-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (5-chlorofuran-2-yl)-[4-(trifluoromethyl)phenyl]methanamine is NC(c1ccc(C(F)(F)F)cc1)c1ccc(Cl)o1.
What is the InChIKey of (5-chlorofuran-2-yl)-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is UMENEVRYRGXCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3NO/c13-10-6-5-9(18-10)11(17)7-1-3-8(4-2-7)12(14,15)16/h1-6,11H,17H2.
What are the key properties of (5-chlorofuran-2-yl)-[4-(trifluoromethyl)phenyl]methanamine?
(5-chlorofuran-2-yl)-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 275.66 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 106691938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).