N-(2-fluoroethyl)-2,2-dimethylcyclopropane-1-carboxamide

C8H14FNO — CID 130635135

IUPACN-(2-fluoroethyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)NCCF
InChIInChI=1S/C8H14FNO/c1-8(2)5-6(8)7(11)10-4-3-9/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyKHHXWLIJEREBMA-UHFFFAOYSA-N
MW159.20 g/mol
LogP1.12
Rot. Bonds3

About N-(2-fluoroethyl)-2,2-dimethylcyclopropane-1-carboxamide

N-(2-fluoroethyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 130635135) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID130635135
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC NameN-(2-fluoroethyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)NCCF
InChIInChI=1S/C8H14FNO/c1-8(2)5-6(8)7(11)10-4-3-9/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyKHHXWLIJEREBMA-UHFFFAOYSA-N
XLogP1.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-fluoroethyl)-3,3-dimethylcyclobutane-1-carboxamide
CID 131131570
N-(5-aminopentyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107000185
(1S)-N-(2-cyanoethyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 130628725
N-[2-(2-aminoethoxy)ethyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107003381
N-(4-cyanobutyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103837485
2-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethylsulfanyl]acetic acid
CID 120526564
ethyl 4-[(2,2-dimethylcyclopropanecarbonyl)amino]butanoate
CID 103837341
(1S)-N-(cyclobutylmethyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 130626986
2,2-dimethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]cyclopropane-1-carboxamide
CID 104954995
N-(2-hydroxy-3-methylbutyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103838536
3-[(2,2-dimethylcyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid
CID 106703571
N-[[1-(chloromethyl)cyclopropyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107003299

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 130635135) is N-(2-fluoroethyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)CC1C(=O)NCCF.
What is the InChIKey of N-(2-fluoroethyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is KHHXWLIJEREBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c1-8(2)5-6(8)7(11)10-4-3-9/h6H,3-5H2,1-2H3,(H,10,11).
What are the key properties of N-(2-fluoroethyl)-2,2-dimethylcyclopropane-1-carboxamide?
N-(2-fluoroethyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 159.20 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 130635135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).