3,3-difluoro-3-(1H-pyrrol-2-yl)propan-1-amine

C7H10F2N2 — CID 116838553

IUPAC3,3-difluoro-3-(1H-pyrrol-2-yl)propan-1-amine
SMILESNCCC(F)(F)c1ccc[nH]1
InChIInChI=1S/C7H10F2N2/c8-7(9,3-4-10)6-2-1-5-11-6/h1-2,5,11H,3-4,10H2
InChIKeyWBLVGNGRIKCTAX-UHFFFAOYSA-N
MW160.17 g/mol
LogP1.46
Rot. Bonds3

About 3,3-difluoro-3-(1H-pyrrol-2-yl)propan-1-amine

3,3-difluoro-3-(1H-pyrrol-2-yl)propan-1-amine (PubChem CID 116838553) has the molecular formula C7H10F2N2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 3,3-difluoro-3-(1H-pyrrol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-3-(1H-pyrrol-2-yl)propan-1-amine
PubChem CID116838553
Molecular FormulaC7H10F2N2
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name3,3-difluoro-3-(1H-pyrrol-2-yl)propan-1-amine
SMILESNCCC(F)(F)c1ccc[nH]1
InChIInChI=1S/C7H10F2N2/c8-7(9,3-4-10)6-2-1-5-11-6/h1-2,5,11H,3-4,10H2
InChIKeyWBLVGNGRIKCTAX-UHFFFAOYSA-N
XLogP1.46
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-difluoro-3-(1H-pyrrol-2-yl)propanenitrile
CID 116840739
(2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-ol
CID 125181066
(1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol
CID 25192384
2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrrole
CID 10249466
(2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propanoic acid
CID 125180929
3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine
CID 2740805
(2S)-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-amine
CID 34364265
4-(3-amino-1,1-difluoropropyl)aniline
CID 84660577
2-methyl-1-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]propane-1,2-diamine
CID 115136357
1,1-bis(1H-pyrrol-2-yl)propan-1-ol
CID 70449825
2-(11-decylhenicosan-11-yl)-1H-pyrrole
CID 173176306
3-methyl-3-N-[2-(1H-pyrrol-2-yl)ethyl]butane-1,3-diamine
CID 115134941

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-3-(1H-pyrrol-2-yl)propan-1-amine?
The IUPAC name of 3,3-difluoro-3-(1H-pyrrol-2-yl)propan-1-amine (CID 116838553) is 3,3-difluoro-3-(1H-pyrrol-2-yl)propan-1-amine.
What is the SMILES notation for 3,3-difluoro-3-(1H-pyrrol-2-yl)propan-1-amine?
The canonical SMILES for 3,3-difluoro-3-(1H-pyrrol-2-yl)propan-1-amine is NCCC(F)(F)c1ccc[nH]1.
What is the InChIKey of 3,3-difluoro-3-(1H-pyrrol-2-yl)propan-1-amine?
The InChIKey is WBLVGNGRIKCTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2/c8-7(9,3-4-10)6-2-1-5-11-6/h1-2,5,11H,3-4,10H2.
What are the key properties of 3,3-difluoro-3-(1H-pyrrol-2-yl)propan-1-amine?
3,3-difluoro-3-(1H-pyrrol-2-yl)propan-1-amine has a molecular weight of 160.17 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-3-(1H-pyrrol-2-yl)propan-1-amine is sourced from PubChem (CID 116838553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).