4-(2,2-difluoropropylamino)-3-methylbutanoic acid

C8H15F2NO2 — CID 144847250

IUPAC4-(2,2-difluoropropylamino)-3-methylbutanoic acid
SMILESCC(CNCC(C)(F)F)CC(=O)O
InChIInChI=1S/C8H15F2NO2/c1-6(3-7(12)13)4-11-5-8(2,9)10/h6,11H,3-5H2,1-2H3,(H,12,13)
InChIKeyAXQQDVRDJVSHHG-UHFFFAOYSA-N
MW195.21 g/mol
LogP1.34
Rot. Bonds6

About 4-(2,2-difluoropropylamino)-3-methylbutanoic acid

4-(2,2-difluoropropylamino)-3-methylbutanoic acid (PubChem CID 144847250) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is 4-(2,2-difluoropropylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name4-(2,2-difluoropropylamino)-3-methylbutanoic acid
PubChem CID144847250
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name4-(2,2-difluoropropylamino)-3-methylbutanoic acid
SMILESCC(CNCC(C)(F)F)CC(=O)O
InChIInChI=1S/C8H15F2NO2/c1-6(3-7(12)13)4-11-5-8(2,9)10/h6,11H,3-5H2,1-2H3,(H,12,13)
InChIKeyAXQQDVRDJVSHHG-UHFFFAOYSA-N
XLogP1.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(Azetidin-3-yl)acetic acid; trifluoroacetic acid
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(3S,4S)-4-(Trifluoromethyl)pyrrolidine-3-carboxylic acid
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3,3-Difluoropiperidine-4-carboxylic acid
CID 83480508
4-(Ethylamino)-2-(trifluoromethyl)pentanoic acid
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rac-(3R,4R)-4-(difluoromethyl)pyrrolidine-3-carboxylic acid
CID 54595330
2-(Azetidin-3-yl)propanoic acid; trifluoroacetic acid
CID 75478612
4,4-Difluoropyrrolidine-3-carboxylic acid hydrochloride
CID 84719098
4,4-Difluoropyrrolidine-3-carboxylic acid
CID 83479519
3-Isobutyl-g-aminobutyric acid
CID 18071581
4-(2,2,2-Trifluoroethylamino)butanoic acid
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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoropropylamino)-3-methylbutanoic acid?
The IUPAC name of 4-(2,2-difluoropropylamino)-3-methylbutanoic acid (CID 144847250) is 4-(2,2-difluoropropylamino)-3-methylbutanoic acid.
What is the SMILES notation for 4-(2,2-difluoropropylamino)-3-methylbutanoic acid?
The canonical SMILES for 4-(2,2-difluoropropylamino)-3-methylbutanoic acid is CC(CNCC(C)(F)F)CC(=O)O.
What is the InChIKey of 4-(2,2-difluoropropylamino)-3-methylbutanoic acid?
The InChIKey is AXQQDVRDJVSHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2/c1-6(3-7(12)13)4-11-5-8(2,9)10/h6,11H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 4-(2,2-difluoropropylamino)-3-methylbutanoic acid?
4-(2,2-difluoropropylamino)-3-methylbutanoic acid has a molecular weight of 195.21 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoropropylamino)-3-methylbutanoic acid is sourced from PubChem (CID 144847250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).