1-nitro-3-[2-(trifluoromethyl)cyclopropyl]benzene

C10H8F3NO2 — CID 75985035

IUPAC1-nitro-3-[2-(trifluoromethyl)cyclopropyl]benzene
SMILESO=[N+]([O-])c1cccc(C2CC2C(F)(F)F)c1
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)9-5-8(9)6-2-1-3-7(4-6)14(15)16/h1-4,8-9H,5H2
InChIKeyDHBWUJBSDNVHTQ-UHFFFAOYSA-N
MW231.17 g/mol
LogP3.26
Rot. Bonds2

About 1-nitro-3-[2-(trifluoromethyl)cyclopropyl]benzene

1-nitro-3-[2-(trifluoromethyl)cyclopropyl]benzene (PubChem CID 75985035) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 1-nitro-3-[2-(trifluoromethyl)cyclopropyl]benzene.

Molecular Properties

Compound Name1-nitro-3-[2-(trifluoromethyl)cyclopropyl]benzene
PubChem CID75985035
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name1-nitro-3-[2-(trifluoromethyl)cyclopropyl]benzene
SMILESO=[N+]([O-])c1cccc(C2CC2C(F)(F)F)c1
InChIInChI=1S/C10H8F3NO2/c11-10(12,13)9-5-8(9)6-2-1-3-7(4-6)14(15)16/h1-4,8-9H,5H2
InChIKeyDHBWUJBSDNVHTQ-UHFFFAOYSA-N
XLogP3.26
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-nitrophenyl)cyclopropane-1-sulfonyl chloride
CID 82368538
1-(2-ethylsulfonylcyclopropyl)-3-nitrobenzene
CID 102548755
1-methyl-3-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]benzene
CID 102579240
N,2-dimethyl-3-(3-nitrophenyl)cyclobutan-1-amine
CID 81416951
cis-(1R,2S)-2-(3-nitrophenyl)cyclopropane-1-carbohydrazide
CID 139349738
3-(3-nitrophenyl)-(1,2-15N2)3H-diazirine
CID 164713943
(3-nitrophenyl)cycloheptane
CID 142001294
2,2-dimethyl-3-(3-nitrophenyl)cyclobutan-1-amine
CID 81415405
tert-butyl N-[(1R,2S)-2-(3-nitrophenyl)cyclopropyl]carbamate
CID 20666535
2-(3-nitrophenyl)-1,3-dioxole
CID 141349380
(3R,4S)-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 56972023
2,6-bis(3-nitrophenyl)thian-4-one
CID 10089760

Frequently Asked Questions

What is the IUPAC name of 1-nitro-3-[2-(trifluoromethyl)cyclopropyl]benzene?
The IUPAC name of 1-nitro-3-[2-(trifluoromethyl)cyclopropyl]benzene (CID 75985035) is 1-nitro-3-[2-(trifluoromethyl)cyclopropyl]benzene.
What is the SMILES notation for 1-nitro-3-[2-(trifluoromethyl)cyclopropyl]benzene?
The canonical SMILES for 1-nitro-3-[2-(trifluoromethyl)cyclopropyl]benzene is O=[N+]([O-])c1cccc(C2CC2C(F)(F)F)c1.
What is the InChIKey of 1-nitro-3-[2-(trifluoromethyl)cyclopropyl]benzene?
The InChIKey is DHBWUJBSDNVHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c11-10(12,13)9-5-8(9)6-2-1-3-7(4-6)14(15)16/h1-4,8-9H,5H2.
What are the key properties of 1-nitro-3-[2-(trifluoromethyl)cyclopropyl]benzene?
1-nitro-3-[2-(trifluoromethyl)cyclopropyl]benzene has a molecular weight of 231.17 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-3-[2-(trifluoromethyl)cyclopropyl]benzene is sourced from PubChem (CID 75985035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).