1-chloro-1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptane

C7ClF13 — CID 139815776

IUPAC1-chloro-1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptane
SMILESFC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(Cl)C(F)(F)C1(F)F
InChIInChI=1S/C7ClF13/c8-1(9)2(10,11)4(14,15)6(18,19)7(20,21)5(16,17)3(1,12)13
InChIKeyJOOHGCPHSIZEAR-UHFFFAOYSA-N
MW366.50 g/mol
LogP4.72
Rot. Bonds

About 1-chloro-1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptane

1-chloro-1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptane (PubChem CID 139815776) has the molecular formula C7ClF13 and a molecular weight of 366.50 g/mol. Its IUPAC name is 1-chloro-1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptane.

Molecular Properties

Compound Name1-chloro-1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptane
PubChem CID139815776
Molecular FormulaC7ClF13
Molecular Weight366.50 g/mol
Exact Mass365.95
IUPAC Name1-chloro-1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptane
SMILESFC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(Cl)C(F)(F)C1(F)F
InChIInChI=1S/C7ClF13/c8-1(9)2(10,11)4(14,15)6(18,19)7(20,21)5(16,17)3(1,12)13
InChIKeyJOOHGCPHSIZEAR-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-1,2,2,3,3-pentafluorocyclopropane
CID 23233207
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15-triacontafluorocyclopentadecane
CID 162355786
1-chloro-1,2,2,3,3,4-hexafluoro-4-methylcyclobutane
CID 21279835
hexafluoro-λ6-sulfane;1,1,2,2,3,3,4,4-octafluorocyclobutane
CID 174484392
1-bromo-1-chloro-2,2,3,3,4,4,5,5-octafluorocyclopentane
CID 70673702
1,5-dichloro-2-[(2,4-dichloro-1,2,3,3,4,5,5,6,6-nonafluorocyclohexyl)oxymethoxy]-1,2,3,3,4,4,5,6,6-nonafluorocyclohexane
CID 54351320
1,2-dichloro-1,2,3,4,4,5,5,6-octafluoro-3,6-dimethylcyclohexane
CID 141455516
(2-chloro-1,2,3,3,4,4,5,5-octafluorocyclopentyl) trifluoromethanesulfonate
CID 12599137
3,4,5,6-tetrachloro-1,2,3,4,5,6-hexafluorocyclohexene
CID 175040926
3-chloro-2,2,3,4,4-pentafluorocyclobutan-1-one
CID 160731078
1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene;1,2-dichloroethane;trihydrofluoride
CID 173434972
1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-thiol
CID 87424981

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptane?
The IUPAC name of 1-chloro-1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptane (CID 139815776) is 1-chloro-1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptane.
What is the SMILES notation for 1-chloro-1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptane?
The canonical SMILES for 1-chloro-1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptane is FC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(Cl)C(F)(F)C1(F)F.
What is the InChIKey of 1-chloro-1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptane?
The InChIKey is JOOHGCPHSIZEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7ClF13/c8-1(9)2(10,11)4(14,15)6(18,19)7(20,21)5(16,17)3(1,12)13.
What are the key properties of 1-chloro-1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptane?
1-chloro-1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptane has a molecular weight of 366.50 g/mol, XLogP of 4.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptane is sourced from PubChem (CID 139815776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).