ethane;1,1,1,2,2,3,3-heptafluorobutane

C6H9F7 — CID 170760942

IUPACethane;1,1,1,2,2,3,3-heptafluorobutane
SMILESCC.CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H3F7.C2H6/c1-2(5,6)3(7,8)4(9,10)11;1-2/h1H3;1-2H3
InChIKeyVKYLAWIJWJZYIT-UHFFFAOYSA-N
MW214.12 g/mol
LogP3.87
Rot. Bonds1

About ethane;1,1,1,2,2,3,3-heptafluorobutane

ethane;1,1,1,2,2,3,3-heptafluorobutane (PubChem CID 170760942) has the molecular formula C6H9F7 and a molecular weight of 214.12 g/mol. Its IUPAC name is ethane;1,1,1,2,2,3,3-heptafluorobutane.

Molecular Properties

Compound Nameethane;1,1,1,2,2,3,3-heptafluorobutane
PubChem CID170760942
Molecular FormulaC6H9F7
Molecular Weight214.12 g/mol
Exact Mass214.06
IUPAC Nameethane;1,1,1,2,2,3,3-heptafluorobutane
SMILESCC.CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H3F7.C2H6/c1-2(5,6)3(7,8)4(9,10)11;1-2/h1H3;1-2H3
InChIKeyVKYLAWIJWJZYIT-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.12
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;1,1,1,2,2,3,3-heptafluorobutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2,2,3,3,4,4,5,5-octafluorohexane
CID 144773774
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluorodecane
CID 22600357
2,2,3,3,4,4-hexafluoropentane
CID 18188371
1,1,1,2,2,3,3,4,4-nonafluoro-5,5-dimethylhexane
CID 129191399
1,1,1,2,2,3-hexafluoro-3,4,4-trimethylpentane
CID 22568684
1,1,2,2,3,3,4,4-octafluoro-N,N-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine
CID 90441308
ethane;1,1,1,3,3,4,4-heptafluoro-2-methoxy-2-(trifluoromethyl)pentane
CID 156806365
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-2-(trifluoromethyl)nonane
CID 167303486
1,1,2,2,3,3,4,4-octafluoro-1-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]pentane
CID 173336880
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
2,2-difluoropropane;ethane
CID 144524394
1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-(trifluoromethyl)pentane
CID 11515508

Frequently Asked Questions

What is the IUPAC name of ethane;1,1,1,2,2,3,3-heptafluorobutane?
The IUPAC name of ethane;1,1,1,2,2,3,3-heptafluorobutane (CID 170760942) is ethane;1,1,1,2,2,3,3-heptafluorobutane.
What is the SMILES notation for ethane;1,1,1,2,2,3,3-heptafluorobutane?
The canonical SMILES for ethane;1,1,1,2,2,3,3-heptafluorobutane is CC.CC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of ethane;1,1,1,2,2,3,3-heptafluorobutane?
The InChIKey is VKYLAWIJWJZYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F7.C2H6/c1-2(5,6)3(7,8)4(9,10)11;1-2/h1H3;1-2H3.
What are the key properties of ethane;1,1,1,2,2,3,3-heptafluorobutane?
ethane;1,1,1,2,2,3,3-heptafluorobutane has a molecular weight of 214.12 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,1,1,2,2,3,3-heptafluorobutane is sourced from PubChem (CID 170760942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).