N-(4,4-difluorocyclohexyl)butanamide

C10H17F2NO — CID 131166223

IUPACN-(4,4-difluorocyclohexyl)butanamide
SMILESCCCC(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C10H17F2NO/c1-2-3-9(14)13-8-4-6-10(11,12)7-5-8/h8H,2-7H2,1H3,(H,13,14)
InChIKeyLAHLQTUFAKRKCV-UHFFFAOYSA-N
MW205.25 g/mol
LogP2.48
Rot. Bonds3

About N-(4,4-difluorocyclohexyl)butanamide

N-(4,4-difluorocyclohexyl)butanamide (PubChem CID 131166223) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)butanamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)butanamide
PubChem CID131166223
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC NameN-(4,4-difluorocyclohexyl)butanamide
SMILESCCCC(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C10H17F2NO/c1-2-3-9(14)13-8-4-6-10(11,12)7-5-8/h8H,2-7H2,1H3,(H,13,14)
InChIKeyLAHLQTUFAKRKCV-UHFFFAOYSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 4614062
N-[4-(methylcarbamoylamino)cyclohexyl]butanamide
CID 166654553
N-(2,2-difluorocyclopentyl)butanamide
CID 127009453
N-(4,4-difluorocyclohexyl)-3-(3-methylphenyl)propanamide
CID 121021894
N-(4,4-difluorocyclohexyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 171662917
N-(4,4-difluorocyclohexyl)-2-pyrrol-1-ylacetamide
CID 121021883
N-(3-hydroxycyclopentyl)butanamide
CID 155457258
N,N'-dicyclopropylbutanediamide
CID 5225156
N-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]butanamide
CID 54996241
N-(8-azabicyclo[3.2.1]octan-3-yl)butanamide
CID 61233297
ethane;N-[4-(propanoylamino)cyclohexyl]propanamide
CID 144871719
N-(4,4-difluorocyclohexyl)-1-propylpyrrolidine-2-carboxamide
CID 11572624

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)butanamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)butanamide (CID 131166223) is N-(4,4-difluorocyclohexyl)butanamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)butanamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)butanamide is CCCC(=O)NC1CCC(F)(F)CC1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)butanamide?
The InChIKey is LAHLQTUFAKRKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-2-3-9(14)13-8-4-6-10(11,12)7-5-8/h8H,2-7H2,1H3,(H,13,14).
What are the key properties of N-(4,4-difluorocyclohexyl)butanamide?
N-(4,4-difluorocyclohexyl)butanamide has a molecular weight of 205.25 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)butanamide is sourced from PubChem (CID 131166223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).