N-fluoro-3,4-dihydro-2H-chromen-3-amine

C9H10FNO — CID 141437976

IUPACN-fluoro-3,4-dihydro-2H-chromen-3-amine
SMILESFNC1COc2ccccc2C1
InChIInChI=1S/C9H10FNO/c10-11-8-5-7-3-1-2-4-9(7)12-6-8/h1-4,8,11H,5-6H2
InChIKeyIINYFPZRFGUKRR-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.46
Rot. Bonds1

About N-fluoro-3,4-dihydro-2H-chromen-3-amine

N-fluoro-3,4-dihydro-2H-chromen-3-amine (PubChem CID 141437976) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is N-fluoro-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound NameN-fluoro-3,4-dihydro-2H-chromen-3-amine
PubChem CID141437976
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC NameN-fluoro-3,4-dihydro-2H-chromen-3-amine
SMILESFNC1COc2ccccc2C1
InChIInChI=1S/C9H10FNO/c10-11-8-5-7-3-1-2-4-9(7)12-6-8/h1-4,8,11H,5-6H2
InChIKeyIINYFPZRFGUKRR-UHFFFAOYSA-N
XLogP1.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]amino]ethanol
CID 155711300
N-(2-methylbutyl)-3,4-dihydro-2H-chromen-3-amine
CID 115887352
(3S)-N-(1,4-dithiepan-6-yl)-3,4-dihydro-2H-chromen-3-amine
CID 42213064
N-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine
CID 45221354
(3R)-N-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine
CID 25308320
N-ethoxy-3,4-dihydro-2H-chromen-3-amine
CID 126985805
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
N-(3,4-dihydro-2H-chromen-3-yl)propane-1-sulfonamide
CID 53006074
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(4-fluorophenyl)urea
CID 92713508
1-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124590872
N-(3,4-dihydro-2H-chromen-3-yl)pyridine-3-carboxamide
CID 110751511
N-(3,4-dihydro-2H-chromen-3-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 110751562

Frequently Asked Questions

What is the IUPAC name of N-fluoro-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of N-fluoro-3,4-dihydro-2H-chromen-3-amine (CID 141437976) is N-fluoro-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for N-fluoro-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for N-fluoro-3,4-dihydro-2H-chromen-3-amine is FNC1COc2ccccc2C1.
What is the InChIKey of N-fluoro-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is IINYFPZRFGUKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c10-11-8-5-7-3-1-2-4-9(7)12-6-8/h1-4,8,11H,5-6H2.
What are the key properties of N-fluoro-3,4-dihydro-2H-chromen-3-amine?
N-fluoro-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 167.18 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 141437976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).