N-[(1S)-1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]hydroxylamine

C8H12FNO — CID 121321269

IUPACN-[(1S)-1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]hydroxylamine
SMILESC[C@H](NO)C1=CC=C(F)CC1
InChIInChI=1S/C8H12FNO/c1-6(10-11)7-2-4-8(9)5-3-7/h2,4,6,10-11H,3,5H2,1H3/t6-/m0/s1
InChIKeySYVWUYRJTUKDAB-LURJTMIESA-N
MW157.19 g/mol
LogP1.93
Rot. Bonds2

About N-[(1S)-1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]hydroxylamine

N-[(1S)-1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]hydroxylamine (PubChem CID 121321269) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]hydroxylamine
PubChem CID121321269
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC NameN-[(1S)-1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]hydroxylamine
SMILESC[C@H](NO)C1=CC=C(F)CC1
InChIInChI=1S/C8H12FNO/c1-6(10-11)7-2-4-8(9)5-3-7/h2,4,6,10-11H,3,5H2,1H3/t6-/m0/s1
InChIKeySYVWUYRJTUKDAB-LURJTMIESA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.93
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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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]hydroxylamine?
The IUPAC name of N-[(1S)-1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]hydroxylamine (CID 121321269) is N-[(1S)-1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]hydroxylamine.
What is the SMILES notation for N-[(1S)-1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]hydroxylamine?
The canonical SMILES for N-[(1S)-1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]hydroxylamine is C[C@H](NO)C1=CC=C(F)CC1.
What is the InChIKey of N-[(1S)-1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]hydroxylamine?
The InChIKey is SYVWUYRJTUKDAB-LURJTMIESA-N. The full InChI is InChI=1S/C8H12FNO/c1-6(10-11)7-2-4-8(9)5-3-7/h2,4,6,10-11H,3,5H2,1H3/t6-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]hydroxylamine?
N-[(1S)-1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]hydroxylamine has a molecular weight of 157.19 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]hydroxylamine is sourced from PubChem (CID 121321269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).