N-(1,1-difluoropropan-2-yl)pyrrol-1-amine

C7H10F2N2 — CID 102869720

IUPACN-(1,1-difluoropropan-2-yl)pyrrol-1-amine
SMILESCC(Nn1cccc1)C(F)F
InChIInChI=1S/C7H10F2N2/c1-6(7(8)9)10-11-4-2-3-5-11/h2-7,10H,1H3
InChIKeyQBKHUFUXKDQWRX-UHFFFAOYSA-N
MW160.17 g/mol
LogP1.69
Rot. Bonds3

About N-(1,1-difluoropropan-2-yl)pyrrol-1-amine

N-(1,1-difluoropropan-2-yl)pyrrol-1-amine (PubChem CID 102869720) has the molecular formula C7H10F2N2 and a molecular weight of 160.17 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)pyrrol-1-amine.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)pyrrol-1-amine
PubChem CID102869720
Molecular FormulaC7H10F2N2
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC NameN-(1,1-difluoropropan-2-yl)pyrrol-1-amine
SMILESCC(Nn1cccc1)C(F)F
InChIInChI=1S/C7H10F2N2/c1-6(7(8)9)10-11-4-2-3-5-11/h2-7,10H,1H3
InChIKeyQBKHUFUXKDQWRX-UHFFFAOYSA-N
XLogP1.69
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)pyrrol-1-amine?
The IUPAC name of N-(1,1-difluoropropan-2-yl)pyrrol-1-amine (CID 102869720) is N-(1,1-difluoropropan-2-yl)pyrrol-1-amine.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)pyrrol-1-amine?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)pyrrol-1-amine is CC(Nn1cccc1)C(F)F.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)pyrrol-1-amine?
The InChIKey is QBKHUFUXKDQWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2/c1-6(7(8)9)10-11-4-2-3-5-11/h2-7,10H,1H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)pyrrol-1-amine?
N-(1,1-difluoropropan-2-yl)pyrrol-1-amine has a molecular weight of 160.17 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)pyrrol-1-amine is sourced from PubChem (CID 102869720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).