3-(cyclohexylamino)-2,2-difluoropropanoic acid

C9H15F2NO2 — CID 123383254

IUPAC3-(cyclohexylamino)-2,2-difluoropropanoic acid
SMILESO=C(O)C(F)(F)CNC1CCCCC1
InChIInChI=1S/C9H15F2NO2/c10-9(11,8(13)14)6-12-7-4-2-1-3-5-7/h7,12H,1-6H2,(H,13,14)
InChIKeyHBRKIMWBTYZLGH-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.63
Rot. Bonds4

About 3-(cyclohexylamino)-2,2-difluoropropanoic acid

3-(cyclohexylamino)-2,2-difluoropropanoic acid (PubChem CID 123383254) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 3-(cyclohexylamino)-2,2-difluoropropanoic acid.

Molecular Properties

Compound Name3-(cyclohexylamino)-2,2-difluoropropanoic acid
PubChem CID123383254
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name3-(cyclohexylamino)-2,2-difluoropropanoic acid
SMILESO=C(O)C(F)(F)CNC1CCCCC1
InChIInChI=1S/C9H15F2NO2/c10-9(11,8(13)14)6-12-7-4-2-1-3-5-7/h7,12H,1-6H2,(H,13,14)
InChIKeyHBRKIMWBTYZLGH-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Cyclohexylaminopropionic acid
CID 33631
3-((5,5,5-Trifluoropentyl)amino)propanoic acid hydrochloride
CID 137966095
3-(Cyclohexylamino)propanoic acid hydrochloride
CID 137971686
3-(Cyclohexylamino)butanoic acid
CID 13200145
3-(Cyclohexylamino)-2-methylpropanoic acid
CID 13859967
2,4,4-Trifluoro-3-(hexylamino)butanoic acid
CID 20479072
N-cyclohexylcyclohexanamine;2,2,2-trifluoroacetic acid
CID 46832469
2-[(4,4-Difluorocyclohexyl)amino]acetic acid
CID 66660213
3-(Cycloundecylamino)-4,4,4-trifluorobutanoic acid
CID 71228221
4,4-difluoro-N-methylcyclohexan-1-amine;2,2,2-trifluoroacetic acid
CID 85846278
4,4,4-Trifluoro-3-(undecan-2-ylamino)butanoic acid
CID 88587797
3-(Cyclohexylamino)-2-fluoro-2-methylpropanoic acid
CID 123573302

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)-2,2-difluoropropanoic acid?
The IUPAC name of 3-(cyclohexylamino)-2,2-difluoropropanoic acid (CID 123383254) is 3-(cyclohexylamino)-2,2-difluoropropanoic acid.
What is the SMILES notation for 3-(cyclohexylamino)-2,2-difluoropropanoic acid?
The canonical SMILES for 3-(cyclohexylamino)-2,2-difluoropropanoic acid is O=C(O)C(F)(F)CNC1CCCCC1.
What is the InChIKey of 3-(cyclohexylamino)-2,2-difluoropropanoic acid?
The InChIKey is HBRKIMWBTYZLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c10-9(11,8(13)14)6-12-7-4-2-1-3-5-7/h7,12H,1-6H2,(H,13,14).
What are the key properties of 3-(cyclohexylamino)-2,2-difluoropropanoic acid?
3-(cyclohexylamino)-2,2-difluoropropanoic acid has a molecular weight of 207.22 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)-2,2-difluoropropanoic acid is sourced from PubChem (CID 123383254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).