(2S)-2-cyclohexyl-2-fluoropropanamide

C9H16FNO — CID 97455861

IUPAC(2S)-2-cyclohexyl-2-fluoropropanamide
SMILESC[C@@](F)(C(N)=O)C1CCCCC1
InChIInChI=1S/C9H16FNO/c1-9(10,8(11)12)7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H2,11,12)/t9-/m0/s1
InChIKeyLYRSEEICCLDPNU-VIFPVBQESA-N
MW173.23 g/mol
LogP1.78
Rot. Bonds2

About (2S)-2-cyclohexyl-2-fluoropropanamide

(2S)-2-cyclohexyl-2-fluoropropanamide (PubChem CID 97455861) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-2-fluoropropanamide.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-2-fluoropropanamide
PubChem CID97455861
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name(2S)-2-cyclohexyl-2-fluoropropanamide
SMILESC[C@@](F)(C(N)=O)C1CCCCC1
InChIInChI=1S/C9H16FNO/c1-9(10,8(11)12)7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H2,11,12)/t9-/m0/s1
InChIKeyLYRSEEICCLDPNU-VIFPVBQESA-N
XLogP1.78
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-cyclohexyl-2,2-bis(dimethylsilyl)acetamide
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2-cyclohexyl-2,2-difluoroacetamide;ethyl 2-cyclohexyl-2,2-difluoroacetate
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(2S)-2-amino-2-cyclopropylpropanamide
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CID 90008477
cyclobutane;2,2-dimethylpropanamide
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(2S)-2-amino-2-cyclohexylbutanamide
CID 67737232
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2-amino-2-cyclopentyl-3-fluoro-3-methylbutanoic acid
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-2-fluoropropanamide?
The IUPAC name of (2S)-2-cyclohexyl-2-fluoropropanamide (CID 97455861) is (2S)-2-cyclohexyl-2-fluoropropanamide.
What is the SMILES notation for (2S)-2-cyclohexyl-2-fluoropropanamide?
The canonical SMILES for (2S)-2-cyclohexyl-2-fluoropropanamide is C[C@@](F)(C(N)=O)C1CCCCC1.
What is the InChIKey of (2S)-2-cyclohexyl-2-fluoropropanamide?
The InChIKey is LYRSEEICCLDPNU-VIFPVBQESA-N. The full InChI is InChI=1S/C9H16FNO/c1-9(10,8(11)12)7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H2,11,12)/t9-/m0/s1.
What are the key properties of (2S)-2-cyclohexyl-2-fluoropropanamide?
(2S)-2-cyclohexyl-2-fluoropropanamide has a molecular weight of 173.23 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-2-fluoropropanamide is sourced from PubChem (CID 97455861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).