N-[(2-fluorocyclopropyl)methyl]-N-(3-methylbutyl)formamide

C10H18FNO — CID 123768064

IUPACN-[(2-fluorocyclopropyl)methyl]-N-(3-methylbutyl)formamide
SMILESCC(C)CCN(C=O)CC1CC1F
InChIInChI=1S/C10H18FNO/c1-8(2)3-4-12(7-13)6-9-5-10(9)11/h7-10H,3-6H2,1-2H3
InChIKeyXYCNFYAWONAGPA-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.85
Rot. Bonds6

About N-[(2-fluorocyclopropyl)methyl]-N-(3-methylbutyl)formamide

N-[(2-fluorocyclopropyl)methyl]-N-(3-methylbutyl)formamide (PubChem CID 123768064) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is N-[(2-fluorocyclopropyl)methyl]-N-(3-methylbutyl)formamide.

Molecular Properties

Compound NameN-[(2-fluorocyclopropyl)methyl]-N-(3-methylbutyl)formamide
PubChem CID123768064
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC NameN-[(2-fluorocyclopropyl)methyl]-N-(3-methylbutyl)formamide
SMILESCC(C)CCN(C=O)CC1CC1F
InChIInChI=1S/C10H18FNO/c1-8(2)3-4-12(7-13)6-9-5-10(9)11/h7-10H,3-6H2,1-2H3
InChIKeyXYCNFYAWONAGPA-UHFFFAOYSA-N
XLogP1.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-formyl diisoamylamine
CID 19803158
N-(2-methylbutyl)-N-(2,2,2-trifluoroethyl)formamide
CID 156794422
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)formamide
CID 64990544
N-[(3S)-5-fluoro-3-methylpentyl]-N-methylformamide
CID 145154187
N-(3-methylbutyl)-N-(2-methylpropyl)formamide
CID 15936100
N,N-bis(2-methylbutyl)formamide
CID 23138969
N-(cyclopropylmethyl)-N-pentylformamide
CID 46206516
N-butyl-N-(2-methylpropyl)formamide
CID 53712755
N-ethyl-N-(3-methylbutyl)formamide
CID 53934961
N-(2,3-dimethylbutyl)-N-ethylformamide
CID 54232262
N-ethyl-N-(2-methylbutyl)formamide
CID 54240642
N,N-bis(2,3-dimethylbutyl)formamide
CID 57421711

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorocyclopropyl)methyl]-N-(3-methylbutyl)formamide?
The IUPAC name of N-[(2-fluorocyclopropyl)methyl]-N-(3-methylbutyl)formamide (CID 123768064) is N-[(2-fluorocyclopropyl)methyl]-N-(3-methylbutyl)formamide.
What is the SMILES notation for N-[(2-fluorocyclopropyl)methyl]-N-(3-methylbutyl)formamide?
The canonical SMILES for N-[(2-fluorocyclopropyl)methyl]-N-(3-methylbutyl)formamide is CC(C)CCN(C=O)CC1CC1F.
What is the InChIKey of N-[(2-fluorocyclopropyl)methyl]-N-(3-methylbutyl)formamide?
The InChIKey is XYCNFYAWONAGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-8(2)3-4-12(7-13)6-9-5-10(9)11/h7-10H,3-6H2,1-2H3.
What are the key properties of N-[(2-fluorocyclopropyl)methyl]-N-(3-methylbutyl)formamide?
N-[(2-fluorocyclopropyl)methyl]-N-(3-methylbutyl)formamide has a molecular weight of 187.26 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorocyclopropyl)methyl]-N-(3-methylbutyl)formamide is sourced from PubChem (CID 123768064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).