(4R)-1,1,1,2,2-pentafluoro-4-iodopentane

C5H6F5I — CID 97109313

IUPAC(4R)-1,1,1,2,2-pentafluoro-4-iodopentane
SMILESC[C@@H](I)CC(F)(F)C(F)(F)F
InChIInChI=1S/C5H6F5I/c1-3(11)2-4(6,7)5(8,9)10/h3H,2H2,1H3/t3-/m1/s1
InChIKeyYRDACZYAYFEFJX-GSVOUGTGSA-N
MW288.00 g/mol
LogP3.40
Rot. Bonds2

About (4R)-1,1,1,2,2-pentafluoro-4-iodopentane

(4R)-1,1,1,2,2-pentafluoro-4-iodopentane (PubChem CID 97109313) has the molecular formula C5H6F5I and a molecular weight of 288.00 g/mol. Its IUPAC name is (4R)-1,1,1,2,2-pentafluoro-4-iodopentane.

Molecular Properties

Compound Name(4R)-1,1,1,2,2-pentafluoro-4-iodopentane
PubChem CID97109313
Molecular FormulaC5H6F5I
Molecular Weight288.00 g/mol
Exact Mass287.94
IUPAC Name(4R)-1,1,1,2,2-pentafluoro-4-iodopentane
SMILESC[C@@H](I)CC(F)(F)C(F)(F)F
InChIInChI=1S/C5H6F5I/c1-3(11)2-4(6,7)5(8,9)10/h3H,2H2,1H3/t3-/m1/s1
InChIKeyYRDACZYAYFEFJX-GSVOUGTGSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.00
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(8R)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodononane
CID 97290812
(3S)-1,1,1-trifluoro-3-iodobutane
CID 95036326
1,1,1,2,2,5,5,5-octafluoro-4-methylpentane
CID 87176653
(2S,4S)-1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethoxy)pentane
CID 26985944
5,5,6,6,6-pentafluorohexan-3-ol
CID 154388893
4-iodo-N,2-dimethylpentan-2-amine
CID 88922055
1,1,1,2,2,4-hexafluoro-4-(1,3,3,4,4,4-hexafluorobutoxy)butane
CID 87404222
1,1,1-trichloro-3-iodobutane
CID 71430091
1,1,1,2,2,4,4,6,6,8,8,10,10-tridecafluoro-12-methyltridecane
CID 58100020
5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-3-iodododecan-2-ol
CID 134975406
2,2,3,3,3-pentafluoro-N,N-di(propan-2-yl)propan-1-amine
CID 11806562
(4,4,5,5,6,6,7,7,7-nonafluoro-2-iodoheptyl)-tri(propan-2-yl)silane
CID 175836380

Frequently Asked Questions

What is the IUPAC name of (4R)-1,1,1,2,2-pentafluoro-4-iodopentane?
The IUPAC name of (4R)-1,1,1,2,2-pentafluoro-4-iodopentane (CID 97109313) is (4R)-1,1,1,2,2-pentafluoro-4-iodopentane.
What is the SMILES notation for (4R)-1,1,1,2,2-pentafluoro-4-iodopentane?
The canonical SMILES for (4R)-1,1,1,2,2-pentafluoro-4-iodopentane is C[C@@H](I)CC(F)(F)C(F)(F)F.
What is the InChIKey of (4R)-1,1,1,2,2-pentafluoro-4-iodopentane?
The InChIKey is YRDACZYAYFEFJX-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H6F5I/c1-3(11)2-4(6,7)5(8,9)10/h3H,2H2,1H3/t3-/m1/s1.
What are the key properties of (4R)-1,1,1,2,2-pentafluoro-4-iodopentane?
(4R)-1,1,1,2,2-pentafluoro-4-iodopentane has a molecular weight of 288.00 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1,1,1,2,2-pentafluoro-4-iodopentane is sourced from PubChem (CID 97109313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).