(3R)-2-decyl-1,1-difluoro-3-(trifluoromethyl)cyclopropane

C14H23F5 — CID 134970476

IUPAC(3R)-2-decyl-1,1-difluoro-3-(trifluoromethyl)cyclopropane
SMILESCCCCCCCCCCC1[C@@H](C(F)(F)F)C1(F)F
InChIInChI=1S/C14H23F5/c1-2-3-4-5-6-7-8-9-10-11-12(13(11,15)16)14(17,18)19/h11-12H,2-10H2,1H3/t11?,12-/m1/s1
InChIKeyOOZJCKYNBHHMIZ-PIJUOVFKSA-N
MW286.33 g/mol
LogP5.96
Rot. Bonds9

About (3R)-2-decyl-1,1-difluoro-3-(trifluoromethyl)cyclopropane

(3R)-2-decyl-1,1-difluoro-3-(trifluoromethyl)cyclopropane (PubChem CID 134970476) has the molecular formula C14H23F5 and a molecular weight of 286.33 g/mol. Its IUPAC name is (3R)-2-decyl-1,1-difluoro-3-(trifluoromethyl)cyclopropane.

Molecular Properties

Compound Name(3R)-2-decyl-1,1-difluoro-3-(trifluoromethyl)cyclopropane
PubChem CID134970476
Molecular FormulaC14H23F5
Molecular Weight286.33 g/mol
Exact Mass286.17
IUPAC Name(3R)-2-decyl-1,1-difluoro-3-(trifluoromethyl)cyclopropane
SMILESCCCCCCCCCCC1[C@@H](C(F)(F)F)C1(F)F
InChIInChI=1S/C14H23F5/c1-2-3-4-5-6-7-8-9-10-11-12(13(11,15)16)14(17,18)19/h11-12H,2-10H2,1H3/t11?,12-/m1/s1
InChIKeyOOZJCKYNBHHMIZ-PIJUOVFKSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.33
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-decyl-1,1-difluoro-3-(trifluoromethyl)cyclopropane?
The IUPAC name of (3R)-2-decyl-1,1-difluoro-3-(trifluoromethyl)cyclopropane (CID 134970476) is (3R)-2-decyl-1,1-difluoro-3-(trifluoromethyl)cyclopropane.
What is the SMILES notation for (3R)-2-decyl-1,1-difluoro-3-(trifluoromethyl)cyclopropane?
The canonical SMILES for (3R)-2-decyl-1,1-difluoro-3-(trifluoromethyl)cyclopropane is CCCCCCCCCCC1[C@@H](C(F)(F)F)C1(F)F.
What is the InChIKey of (3R)-2-decyl-1,1-difluoro-3-(trifluoromethyl)cyclopropane?
The InChIKey is OOZJCKYNBHHMIZ-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H23F5/c1-2-3-4-5-6-7-8-9-10-11-12(13(11,15)16)14(17,18)19/h11-12H,2-10H2,1H3/t11?,12-/m1/s1.
What are the key properties of (3R)-2-decyl-1,1-difluoro-3-(trifluoromethyl)cyclopropane?
(3R)-2-decyl-1,1-difluoro-3-(trifluoromethyl)cyclopropane has a molecular weight of 286.33 g/mol, XLogP of 5.96, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-decyl-1,1-difluoro-3-(trifluoromethyl)cyclopropane is sourced from PubChem (CID 134970476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).