N-(2-fluoroethyl)cycloheptene-1-carboxamide

C10H16FNO — CID 130666185

IUPACN-(2-fluoroethyl)cycloheptene-1-carboxamide
SMILESO=C(NCCF)C1=CCCCCC1
InChIInChI=1S/C10H16FNO/c11-7-8-12-10(13)9-5-3-1-2-4-6-9/h5H,1-4,6-8H2,(H,12,13)
InChIKeyYMJYGOZSZWYVDE-UHFFFAOYSA-N
MW185.24 g/mol
LogP1.96
Rot. Bonds3

About N-(2-fluoroethyl)cycloheptene-1-carboxamide

N-(2-fluoroethyl)cycloheptene-1-carboxamide (PubChem CID 130666185) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is N-(2-fluoroethyl)cycloheptene-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)cycloheptene-1-carboxamide
PubChem CID130666185
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC NameN-(2-fluoroethyl)cycloheptene-1-carboxamide
SMILESO=C(NCCF)C1=CCCCCC1
InChIInChI=1S/C10H16FNO/c11-7-8-12-10(13)9-5-3-1-2-4-6-9/h5H,1-4,6-8H2,(H,12,13)
InChIKeyYMJYGOZSZWYVDE-UHFFFAOYSA-N
XLogP1.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)cycloheptene-1-carboxamide?
The IUPAC name of N-(2-fluoroethyl)cycloheptene-1-carboxamide (CID 130666185) is N-(2-fluoroethyl)cycloheptene-1-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)cycloheptene-1-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)cycloheptene-1-carboxamide is O=C(NCCF)C1=CCCCCC1.
What is the InChIKey of N-(2-fluoroethyl)cycloheptene-1-carboxamide?
The InChIKey is YMJYGOZSZWYVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c11-7-8-12-10(13)9-5-3-1-2-4-6-9/h5H,1-4,6-8H2,(H,12,13).
What are the key properties of N-(2-fluoroethyl)cycloheptene-1-carboxamide?
N-(2-fluoroethyl)cycloheptene-1-carboxamide has a molecular weight of 185.24 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)cycloheptene-1-carboxamide is sourced from PubChem (CID 130666185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).