1,1,1,2,3,3,3-heptafluoropropane;1,1,1,2,3,3,3-heptafluoropropan-2-ol

C6H2F14O — CID 87660779

IUPAC1,1,1,2,3,3,3-heptafluoropropane;1,1,1,2,3,3,3-heptafluoropropan-2-ol
SMILESFC(C(F)(F)F)C(F)(F)F.OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3HF7O.C3HF7/c4-1(11,2(5,6)7)3(8,9)10;4-1(2(5,6)7)3(8,9)10/h11H;1H
InChIKeyKMBCPAPNZHJVKV-UHFFFAOYSA-N
MW356.05 g/mol
LogP4.22
Rot. Bonds

About 1,1,1,2,3,3,3-heptafluoropropane;1,1,1,2,3,3,3-heptafluoropropan-2-ol

1,1,1,2,3,3,3-heptafluoropropane;1,1,1,2,3,3,3-heptafluoropropan-2-ol (PubChem CID 87660779) has the molecular formula C6H2F14O and a molecular weight of 356.05 g/mol. Its IUPAC name is 1,1,1,2,3,3,3-heptafluoropropane;1,1,1,2,3,3,3-heptafluoropropan-2-ol.

Molecular Properties

Compound Name1,1,1,2,3,3,3-heptafluoropropane;1,1,1,2,3,3,3-heptafluoropropan-2-ol
PubChem CID87660779
Molecular FormulaC6H2F14O
Molecular Weight356.05 g/mol
Exact Mass355.99
IUPAC Name1,1,1,2,3,3,3-heptafluoropropane;1,1,1,2,3,3,3-heptafluoropropan-2-ol
SMILESFC(C(F)(F)F)C(F)(F)F.OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3HF7O.C3HF7/c4-1(11,2(5,6)7)3(8,9)10;4-1(2(5,6)7)3(8,9)10/h11H;1H
InChIKeyKMBCPAPNZHJVKV-UHFFFAOYSA-N
XLogP4.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.05
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,3-heptafluoropropane;1,1,1,2,3,3,3-heptafluoropropan-2-ol?
The IUPAC name of 1,1,1,2,3,3,3-heptafluoropropane;1,1,1,2,3,3,3-heptafluoropropan-2-ol (CID 87660779) is 1,1,1,2,3,3,3-heptafluoropropane;1,1,1,2,3,3,3-heptafluoropropan-2-ol.
What is the SMILES notation for 1,1,1,2,3,3,3-heptafluoropropane;1,1,1,2,3,3,3-heptafluoropropan-2-ol?
The canonical SMILES for 1,1,1,2,3,3,3-heptafluoropropane;1,1,1,2,3,3,3-heptafluoropropan-2-ol is FC(C(F)(F)F)C(F)(F)F.OC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,3-heptafluoropropane;1,1,1,2,3,3,3-heptafluoropropan-2-ol?
The InChIKey is KMBCPAPNZHJVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF7O.C3HF7/c4-1(11,2(5,6)7)3(8,9)10;4-1(2(5,6)7)3(8,9)10/h11H;1H.
What are the key properties of 1,1,1,2,3,3,3-heptafluoropropane;1,1,1,2,3,3,3-heptafluoropropan-2-ol?
1,1,1,2,3,3,3-heptafluoropropane;1,1,1,2,3,3,3-heptafluoropropan-2-ol has a molecular weight of 356.05 g/mol, XLogP of 4.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,3-heptafluoropropane;1,1,1,2,3,3,3-heptafluoropropan-2-ol is sourced from PubChem (CID 87660779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).