2-(cyclopropylmethylamino)-1-(3-fluorophenyl)ethanone

C12H14FNO — CID 116557703

IUPAC2-(cyclopropylmethylamino)-1-(3-fluorophenyl)ethanone
SMILESO=C(CNCC1CC1)c1cccc(F)c1
InChIInChI=1S/C12H14FNO/c13-11-3-1-2-10(6-11)12(15)8-14-7-9-4-5-9/h1-3,6,9,14H,4-5,7-8H2
InChIKeyDQYXWBOPDAVPKX-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.01
Rot. Bonds5

About 2-(cyclopropylmethylamino)-1-(3-fluorophenyl)ethanone

2-(cyclopropylmethylamino)-1-(3-fluorophenyl)ethanone (PubChem CID 116557703) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-(3-fluorophenyl)ethanone
PubChem CID116557703
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name2-(cyclopropylmethylamino)-1-(3-fluorophenyl)ethanone
SMILESO=C(CNCC1CC1)c1cccc(F)c1
InChIInChI=1S/C12H14FNO/c13-11-3-1-2-10(6-11)12(15)8-14-7-9-4-5-9/h1-3,6,9,14H,4-5,7-8H2
InChIKeyDQYXWBOPDAVPKX-UHFFFAOYSA-N
XLogP2.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-(3-fluorophenyl)ethanone?
The IUPAC name of 2-(cyclopropylmethylamino)-1-(3-fluorophenyl)ethanone (CID 116557703) is 2-(cyclopropylmethylamino)-1-(3-fluorophenyl)ethanone.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-(3-fluorophenyl)ethanone?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-(3-fluorophenyl)ethanone is O=C(CNCC1CC1)c1cccc(F)c1.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-(3-fluorophenyl)ethanone?
The InChIKey is DQYXWBOPDAVPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c13-11-3-1-2-10(6-11)12(15)8-14-7-9-4-5-9/h1-3,6,9,14H,4-5,7-8H2.
What are the key properties of 2-(cyclopropylmethylamino)-1-(3-fluorophenyl)ethanone?
2-(cyclopropylmethylamino)-1-(3-fluorophenyl)ethanone has a molecular weight of 207.25 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1-(3-fluorophenyl)ethanone is sourced from PubChem (CID 116557703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).