N-[1-(fluoromethyl)cyclopropyl]-3-methylbutanamide

C9H16FNO — CID 176873388

IUPACN-[1-(fluoromethyl)cyclopropyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC1(CF)CC1
InChIInChI=1S/C9H16FNO/c1-7(2)5-8(12)11-9(6-10)3-4-9/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyHLAKWBCNRZNVBW-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.65
Rot. Bonds4

About N-[1-(fluoromethyl)cyclopropyl]-3-methylbutanamide

N-[1-(fluoromethyl)cyclopropyl]-3-methylbutanamide (PubChem CID 176873388) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is N-[1-(fluoromethyl)cyclopropyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-(fluoromethyl)cyclopropyl]-3-methylbutanamide
PubChem CID176873388
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC NameN-[1-(fluoromethyl)cyclopropyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC1(CF)CC1
InChIInChI=1S/C9H16FNO/c1-7(2)5-8(12)11-9(6-10)3-4-9/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyHLAKWBCNRZNVBW-UHFFFAOYSA-N
XLogP1.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(fluoromethyl)cyclopropyl]-3-methylbutanamide?
The IUPAC name of N-[1-(fluoromethyl)cyclopropyl]-3-methylbutanamide (CID 176873388) is N-[1-(fluoromethyl)cyclopropyl]-3-methylbutanamide.
What is the SMILES notation for N-[1-(fluoromethyl)cyclopropyl]-3-methylbutanamide?
The canonical SMILES for N-[1-(fluoromethyl)cyclopropyl]-3-methylbutanamide is CC(C)CC(=O)NC1(CF)CC1.
What is the InChIKey of N-[1-(fluoromethyl)cyclopropyl]-3-methylbutanamide?
The InChIKey is HLAKWBCNRZNVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-7(2)5-8(12)11-9(6-10)3-4-9/h7H,3-6H2,1-2H3,(H,11,12).
What are the key properties of N-[1-(fluoromethyl)cyclopropyl]-3-methylbutanamide?
N-[1-(fluoromethyl)cyclopropyl]-3-methylbutanamide has a molecular weight of 173.23 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(fluoromethyl)cyclopropyl]-3-methylbutanamide is sourced from PubChem (CID 176873388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).