N-[4-(1,1-difluoropropyl)phenyl]hydroxylamine

C9H11F2NO — CID 147278596

IUPACN-[4-(1,1-difluoropropyl)phenyl]hydroxylamine
SMILESCCC(F)(F)c1ccc(NO)cc1
InChIInChI=1S/C9H11F2NO/c1-2-9(10,11)7-3-5-8(12-13)6-4-7/h3-6,12-13H,2H2,1H3
InChIKeyCRVOPMFKRDEDQH-UHFFFAOYSA-N
MW187.19 g/mol
LogP2.99
Rot. Bonds3

About N-[4-(1,1-difluoropropyl)phenyl]hydroxylamine

N-[4-(1,1-difluoropropyl)phenyl]hydroxylamine (PubChem CID 147278596) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is N-[4-(1,1-difluoropropyl)phenyl]hydroxylamine.

Molecular Properties

Compound NameN-[4-(1,1-difluoropropyl)phenyl]hydroxylamine
PubChem CID147278596
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC NameN-[4-(1,1-difluoropropyl)phenyl]hydroxylamine
SMILESCCC(F)(F)c1ccc(NO)cc1
InChIInChI=1S/C9H11F2NO/c1-2-9(10,11)7-3-5-8(12-13)6-4-7/h3-6,12-13H,2H2,1H3
InChIKeyCRVOPMFKRDEDQH-UHFFFAOYSA-N
XLogP2.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

p-Toluidine
CID 7813
3-(Trifluoromethyl)aniline
CID 7375
4-Isopropylaniline
CID 7464
4-(Trifluoromethyl)aniline
CID 9964
Benzenamine, 4-methyl-, hydrochloride (1:1)
CID 10891
2-Ethylaniline
CID 11357
4-Ethylaniline
CID 11504
4-Butylaniline
CID 7694
4-Propylaniline
CID 75908
3-Ethylaniline
CID 11475
4-Pentylaniline
CID 93162
4-Hexylaniline
CID 36382

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-difluoropropyl)phenyl]hydroxylamine?
The IUPAC name of N-[4-(1,1-difluoropropyl)phenyl]hydroxylamine (CID 147278596) is N-[4-(1,1-difluoropropyl)phenyl]hydroxylamine.
What is the SMILES notation for N-[4-(1,1-difluoropropyl)phenyl]hydroxylamine?
The canonical SMILES for N-[4-(1,1-difluoropropyl)phenyl]hydroxylamine is CCC(F)(F)c1ccc(NO)cc1.
What is the InChIKey of N-[4-(1,1-difluoropropyl)phenyl]hydroxylamine?
The InChIKey is CRVOPMFKRDEDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-2-9(10,11)7-3-5-8(12-13)6-4-7/h3-6,12-13H,2H2,1H3.
What are the key properties of N-[4-(1,1-difluoropropyl)phenyl]hydroxylamine?
N-[4-(1,1-difluoropropyl)phenyl]hydroxylamine has a molecular weight of 187.19 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-difluoropropyl)phenyl]hydroxylamine is sourced from PubChem (CID 147278596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).