azane;1,2-difluoro-4-(1,2,2-trifluoroethyl)benzene

C8H8F5N — CID 175581175

IUPACazane;1,2-difluoro-4-(1,2,2-trifluoroethyl)benzene
SMILESFc1ccc(C(F)C(F)F)cc1F.N
InChIInChI=1S/C8H5F5.H3N/c9-5-2-1-4(3-6(5)10)7(11)8(12)13;/h1-3,7-8H;1H3
InChIKeyLSTNVMCWMXRRTH-UHFFFAOYSA-N
MW213.15 g/mol
LogP3.40
Rot. Bonds2

About azane;1,2-difluoro-4-(1,2,2-trifluoroethyl)benzene

azane;1,2-difluoro-4-(1,2,2-trifluoroethyl)benzene (PubChem CID 175581175) has the molecular formula C8H8F5N and a molecular weight of 213.15 g/mol. Its IUPAC name is azane;1,2-difluoro-4-(1,2,2-trifluoroethyl)benzene.

Molecular Properties

Compound Nameazane;1,2-difluoro-4-(1,2,2-trifluoroethyl)benzene
PubChem CID175581175
Molecular FormulaC8H8F5N
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Nameazane;1,2-difluoro-4-(1,2,2-trifluoroethyl)benzene
SMILESFc1ccc(C(F)C(F)F)cc1F.N
InChIInChI=1S/C8H5F5.H3N/c9-5-2-1-4(3-6(5)10)7(11)8(12)13;/h1-3,7-8H;1H3
InChIKeyLSTNVMCWMXRRTH-UHFFFAOYSA-N
XLogP3.40
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2-fluoro-4-(1,2,2-trifluoroethyl)benzene
CID 166687880
(1R,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine
CID 124654147
2-(3,4-difluorophenyl)-2-fluoroacetyl chloride
CID 174899549
(1R,2S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol
CID 55272052
(1S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol
CID 131002091
1,2-difluoro-4-propan-2-ylbenzene;propane
CID 143774679
(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methanol
CID 62965110
(1R,2R)-1-amino-1-(3,4-difluorophenyl)propan-2-ol;hydrochloride
CID 69010360
(3,4-difluorophenyl)-(2-fluorophenyl)methanol
CID 61088873
1,2-difluoro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene
CID 157456603
2,2-bis(3,4-difluorophenyl)acetic acid
CID 20677452
1-(3,4-difluorophenyl)ethane-1,2-diol
CID 71469386

Frequently Asked Questions

What is the IUPAC name of azane;1,2-difluoro-4-(1,2,2-trifluoroethyl)benzene?
The IUPAC name of azane;1,2-difluoro-4-(1,2,2-trifluoroethyl)benzene (CID 175581175) is azane;1,2-difluoro-4-(1,2,2-trifluoroethyl)benzene.
What is the SMILES notation for azane;1,2-difluoro-4-(1,2,2-trifluoroethyl)benzene?
The canonical SMILES for azane;1,2-difluoro-4-(1,2,2-trifluoroethyl)benzene is Fc1ccc(C(F)C(F)F)cc1F.N.
What is the InChIKey of azane;1,2-difluoro-4-(1,2,2-trifluoroethyl)benzene?
The InChIKey is LSTNVMCWMXRRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5.H3N/c9-5-2-1-4(3-6(5)10)7(11)8(12)13;/h1-3,7-8H;1H3.
What are the key properties of azane;1,2-difluoro-4-(1,2,2-trifluoroethyl)benzene?
azane;1,2-difluoro-4-(1,2,2-trifluoroethyl)benzene has a molecular weight of 213.15 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,2-difluoro-4-(1,2,2-trifluoroethyl)benzene is sourced from PubChem (CID 175581175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).