1-(7-chloro-1-benzofuran-2-yl)-2,2-difluoroethanamine

C10H8ClF2NO — CID 103517192

IUPAC1-(7-chloro-1-benzofuran-2-yl)-2,2-difluoroethanamine
SMILESNC(c1cc2cccc(Cl)c2o1)C(F)F
InChIInChI=1S/C10H8ClF2NO/c11-6-3-1-2-5-4-7(15-9(5)6)8(14)10(12)13/h1-4,8,10H,14H2
InChIKeyNWSUCJSYXZOJBO-UHFFFAOYSA-N
MW231.63 g/mol
LogP3.35
Rot. Bonds2

About 1-(7-chloro-1-benzofuran-2-yl)-2,2-difluoroethanamine

1-(7-chloro-1-benzofuran-2-yl)-2,2-difluoroethanamine (PubChem CID 103517192) has the molecular formula C10H8ClF2NO and a molecular weight of 231.63 g/mol. Its IUPAC name is 1-(7-chloro-1-benzofuran-2-yl)-2,2-difluoroethanamine.

Molecular Properties

Compound Name1-(7-chloro-1-benzofuran-2-yl)-2,2-difluoroethanamine
PubChem CID103517192
Molecular FormulaC10H8ClF2NO
Molecular Weight231.63 g/mol
Exact Mass231.03
IUPAC Name1-(7-chloro-1-benzofuran-2-yl)-2,2-difluoroethanamine
SMILESNC(c1cc2cccc(Cl)c2o1)C(F)F
InChIInChI=1S/C10H8ClF2NO/c11-6-3-1-2-5-4-7(15-9(5)6)8(14)10(12)13/h1-4,8,10H,14H2
InChIKeyNWSUCJSYXZOJBO-UHFFFAOYSA-N
XLogP3.35
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.63
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine
CID 105048440
1-(7-chloro-1-benzofuran-2-yl)-2-methoxypropan-1-amine
CID 114729864
1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 114731255
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 114728541
1-(7-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanamine
CID 114727608
(7-chloro-1-benzofuran-2-yl)-cyclobutylmethanamine
CID 114728828
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 105048451
1-(7-chloro-1-benzofuran-2-yl)-2-methylpropan-1-ol
CID 65426322
2-(3-bromobutan-2-yl)-7-chloro-1-benzofuran
CID 114732847
1-(7-chloro-1-benzofuran-2-yl)-2-(4-methylphenyl)ethanamine
CID 114728299
(7-chloro-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 112614639
(7-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanamine
CID 114730975

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-2,2-difluoroethanamine?
The IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-2,2-difluoroethanamine (CID 103517192) is 1-(7-chloro-1-benzofuran-2-yl)-2,2-difluoroethanamine.
What is the SMILES notation for 1-(7-chloro-1-benzofuran-2-yl)-2,2-difluoroethanamine?
The canonical SMILES for 1-(7-chloro-1-benzofuran-2-yl)-2,2-difluoroethanamine is NC(c1cc2cccc(Cl)c2o1)C(F)F.
What is the InChIKey of 1-(7-chloro-1-benzofuran-2-yl)-2,2-difluoroethanamine?
The InChIKey is NWSUCJSYXZOJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF2NO/c11-6-3-1-2-5-4-7(15-9(5)6)8(14)10(12)13/h1-4,8,10H,14H2.
What are the key properties of 1-(7-chloro-1-benzofuran-2-yl)-2,2-difluoroethanamine?
1-(7-chloro-1-benzofuran-2-yl)-2,2-difluoroethanamine has a molecular weight of 231.63 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-benzofuran-2-yl)-2,2-difluoroethanamine is sourced from PubChem (CID 103517192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).